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 52 SER OG : rot -71:sc= 1 USER MOD Set 1.2: A 54 ASN : amide:sc= -1.64! C(o=-0.64!,f=-1.6!) USER MOD Single : A 31 SER OG : rot 34:sc= 0.893 USER MOD Single : A 35 HIS : no HE2:sc= -1.92! C(o=-1.9!,f=-6.4!) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.56! C(o=-4.7!,f=-3.6!) USER MOD Single : A 51 GLN : amide:sc= -7.52! C(o=-7.5!,f=-8.3!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.315 F(o=-1.4,f=-0.32) USER MOD Single : A 68 THR OG1 : rot 140:sc= -4.66! USER MOD Single : A 71 THR OG1 : rot -92:sc= 0.879 USER MOD Single : A 80 SER OG : rot -70:sc= -1.04 USER MOD Single : A 85 SER OG : rot -106:sc= 1.3 USER MOD Single : A 88 TYR OH : rot -36:sc= -1.73 USER MOD Single : A 92 THR OG1 : rot -89:sc= 2.3 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -85:sc= 0.081 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00891 USER MOD Single : A 101 THR OG1 : rot -119:sc= -0.284 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 138:sc= 0.0159 USER MOD Single : A 106 ASN :FLIP amide:sc= -5.47! C(o=-7.4!,f=-5.5!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -11.514 2.758 4.793 1.00 0.00 N ATOM 213 CA GLU A 28 -11.529 1.749 3.715 1.00 0.00 C ATOM 214 C GLU A 28 -11.165 2.461 2.416 1.00 0.00 C ATOM 215 O GLU A 28 -10.939 3.654 2.374 1.00 0.00 O ATOM 216 CB GLU A 28 -12.935 1.142 3.609 1.00 0.00 C ATOM 217 CG GLU A 28 -12.972 -0.197 4.370 1.00 0.00 C ATOM 218 CD GLU A 28 -12.125 -1.252 3.639 1.00 0.00 C ATOM 219 OE1 GLU A 28 -11.518 -0.878 2.649 1.00 0.00 O ATOM 220 OE2 GLU A 28 -12.135 -2.373 4.120 1.00 0.00 O ATOM 0 HA GLU A 28 -10.820 0.947 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.672 1.829 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.198 0.986 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.595 -0.057 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.001 -0.545 4.458 1.00 0.00 H new ATOM 227 N VAL A 29 -10.927 1.644 1.440 1.00 0.00 N ATOM 228 CA VAL A 29 -10.632 2.146 0.069 1.00 0.00 C ATOM 229 C VAL A 29 -10.822 1.039 -0.951 1.00 0.00 C ATOM 230 O VAL A 29 -11.724 1.065 -1.765 1.00 0.00 O ATOM 231 CB VAL A 29 -9.217 2.698 -0.034 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.659 2.426 -1.435 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.312 4.224 0.114 1.00 0.00 C ATOM 0 H VAL A 29 -10.923 0.628 1.531 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.330 2.957 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.583 2.240 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.646 2.822 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.642 1.352 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.291 2.911 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.315 4.659 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.940 4.628 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.749 4.469 1.082 1.00 0.00 H new ATOM 243 N GLU A 30 -9.936 0.086 -0.866 1.00 0.00 N ATOM 244 CA GLU A 30 -10.007 -1.043 -1.837 1.00 0.00 C ATOM 245 C GLU A 30 -9.612 -2.391 -1.236 1.00 0.00 C ATOM 246 O GLU A 30 -8.464 -2.646 -0.929 1.00 0.00 O ATOM 247 CB GLU A 30 -9.091 -0.739 -3.027 1.00 0.00 C ATOM 248 CG GLU A 30 -9.149 -1.925 -4.001 1.00 0.00 C ATOM 249 CD GLU A 30 -8.767 -1.455 -5.408 1.00 0.00 C ATOM 250 OE1 GLU A 30 -9.655 -0.920 -6.050 1.00 0.00 O ATOM 251 OE2 GLU A 30 -7.619 -1.663 -5.768 1.00 0.00 O ATOM 0 H GLU A 30 -9.181 0.038 -0.182 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.049 -1.128 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.409 0.177 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.068 -0.578 -2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.470 -2.712 -3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.152 -2.353 -4.009 1.00 0.00 H new ATOM 258 N SER A 31 -10.607 -3.215 -1.078 1.00 0.00 N ATOM 259 CA SER A 31 -10.372 -4.584 -0.537 1.00 0.00 C ATOM 260 C SER A 31 -10.160 -5.585 -1.686 1.00 0.00 C ATOM 261 O SER A 31 -11.037 -5.805 -2.499 1.00 0.00 O ATOM 262 CB SER A 31 -11.591 -5.001 0.290 1.00 0.00 C ATOM 263 OG SER A 31 -12.676 -4.883 -0.618 1.00 0.00 O ATOM 0 H SER A 31 -11.579 -3.000 -1.301 1.00 0.00 H new ATOM 0 HA SER A 31 -9.478 -4.579 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.491 -6.020 0.663 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.725 -4.356 1.158 1.00 0.00 H new ATOM 0 HG SER A 31 -12.372 -5.110 -1.522 1.00 0.00 H new ATOM 269 N LEU A 32 -8.988 -6.160 -1.716 1.00 0.00 N ATOM 270 CA LEU A 32 -8.651 -7.146 -2.783 1.00 0.00 C ATOM 271 C LEU A 32 -7.954 -8.405 -2.235 1.00 0.00 C ATOM 272 O LEU A 32 -7.121 -8.351 -1.350 1.00 0.00 O ATOM 273 CB LEU A 32 -7.727 -6.456 -3.795 1.00 0.00 C ATOM 274 CG LEU A 32 -7.384 -7.436 -4.927 1.00 0.00 C ATOM 275 CD1 LEU A 32 -8.656 -7.758 -5.720 1.00 0.00 C ATOM 276 CD2 LEU A 32 -6.375 -6.769 -5.866 1.00 0.00 C ATOM 0 H LEU A 32 -8.243 -5.987 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.582 -7.475 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.213 -5.570 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.815 -6.121 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.966 -8.352 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.417 -8.453 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.394 -8.210 -5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.063 -6.840 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.123 -7.454 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.811 -5.861 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.472 -6.516 -5.310 1.00 0.00 H new ATOM 288 N LEU A 33 -8.323 -9.518 -2.808 1.00 0.00 N ATOM 289 CA LEU A 33 -7.731 -10.825 -2.403 1.00 0.00 C ATOM 290 C LEU A 33 -6.799 -11.336 -3.510 1.00 0.00 C ATOM 291 O LEU A 33 -7.155 -11.346 -4.671 1.00 0.00 O ATOM 292 CB LEU A 33 -8.873 -11.825 -2.186 1.00 0.00 C ATOM 293 CG LEU A 33 -9.872 -11.718 -3.350 1.00 0.00 C ATOM 294 CD1 LEU A 33 -10.471 -13.101 -3.617 1.00 0.00 C ATOM 295 CD2 LEU A 33 -11.006 -10.768 -2.946 1.00 0.00 C ATOM 0 H LEU A 33 -9.020 -9.578 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.155 -10.708 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.477 -12.839 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.376 -11.621 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.366 -11.346 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.181 -13.037 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.675 -13.798 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.984 -13.454 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.720 -10.685 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.511 -11.159 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.594 -9.784 -2.723 1.00 0.00 H new ATOM 307 N VAL A 34 -5.621 -11.743 -3.119 1.00 0.00 N ATOM 308 CA VAL A 34 -4.639 -12.240 -4.129 1.00 0.00 C ATOM 309 C VAL A 34 -3.869 -13.472 -3.628 1.00 0.00 C ATOM 310 O VAL A 34 -3.942 -13.836 -2.471 1.00 0.00 O ATOM 311 CB VAL A 34 -3.638 -11.111 -4.427 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.709 -10.767 -5.918 1.00 0.00 C ATOM 313 CG2 VAL A 34 -4.010 -9.859 -3.622 1.00 0.00 C ATOM 0 H VAL A 34 -5.297 -11.754 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.187 -12.534 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.635 -11.438 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.003 -9.967 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.456 -11.649 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.718 -10.440 -6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.297 -9.063 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.013 -9.533 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.985 -10.090 -2.557 1.00 0.00 H new ATOM 323 N HIS A 35 -3.141 -14.097 -4.515 1.00 0.00 N ATOM 324 CA HIS A 35 -2.353 -15.296 -4.107 1.00 0.00 C ATOM 325 C HIS A 35 -0.912 -15.177 -4.622 1.00 0.00 C ATOM 326 O HIS A 35 -0.603 -14.318 -5.423 1.00 0.00 O ATOM 327 CB HIS A 35 -3.017 -16.542 -4.709 1.00 0.00 C ATOM 328 CG HIS A 35 -4.421 -16.177 -5.199 1.00 0.00 C ATOM 329 ND1 HIS A 35 -4.681 -15.289 -6.101 1.00 0.00 N ATOM 330 CD2 HIS A 35 -5.662 -16.666 -4.834 1.00 0.00 C ATOM 331 CE1 HIS A 35 -5.960 -15.224 -6.294 1.00 0.00 C ATOM 332 NE2 HIS A 35 -6.609 -16.064 -5.527 1.00 0.00 N ATOM 0 H HIS A 35 -3.058 -13.832 -5.496 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.329 -15.372 -3.020 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.418 -16.924 -5.536 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.074 -17.335 -3.963 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -3.984 -14.725 -6.587 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.831 -17.430 -4.090 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.433 -14.559 -7.001 1.00 0.00 H new ATOM 340 N PRO A 36 -0.069 -16.054 -4.140 1.00 0.00 N ATOM 341 CA PRO A 36 1.391 -15.980 -4.391 1.00 0.00 C ATOM 342 C PRO A 36 1.713 -15.910 -5.888 1.00 0.00 C ATOM 343 O PRO A 36 1.539 -16.874 -6.608 1.00 0.00 O ATOM 344 CB PRO A 36 1.967 -17.256 -3.761 1.00 0.00 C ATOM 345 CG PRO A 36 0.827 -17.911 -2.929 1.00 0.00 C ATOM 346 CD PRO A 36 -0.490 -17.206 -3.307 1.00 0.00 C ATOM 0 HA PRO A 36 1.823 -15.076 -3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.323 -17.939 -4.532 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.821 -17.020 -3.126 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.764 -18.979 -3.140 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.024 -17.808 -1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.153 -17.873 -3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.033 -16.878 -2.421 1.00 0.00 H new ATOM 354 N GLY A 37 2.172 -14.766 -6.323 1.00 0.00 N ATOM 355 CA GLY A 37 2.517 -14.602 -7.762 1.00 0.00 C ATOM 356 C GLY A 37 1.551 -13.627 -8.440 1.00 0.00 C ATOM 357 O GLY A 37 1.200 -13.808 -9.589 1.00 0.00 O ATOM 0 H GLY A 37 2.322 -13.940 -5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.539 -14.235 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.478 -15.569 -8.263 1.00 0.00 H new ATOM 361 N ASP A 38 1.142 -12.613 -7.722 1.00 0.00 N ATOM 362 CA ASP A 38 0.192 -11.637 -8.336 1.00 0.00 C ATOM 363 C ASP A 38 0.592 -10.164 -8.180 1.00 0.00 C ATOM 364 O ASP A 38 1.421 -9.792 -7.369 1.00 0.00 O ATOM 365 CB ASP A 38 -1.188 -11.830 -7.700 1.00 0.00 C ATOM 366 CG ASP A 38 -1.828 -13.131 -8.196 1.00 0.00 C ATOM 367 OD1 ASP A 38 -1.503 -13.527 -9.303 1.00 0.00 O ATOM 368 OD2 ASP A 38 -2.621 -13.645 -7.425 1.00 0.00 O ATOM 0 H ASP A 38 1.417 -12.420 -6.759 1.00 0.00 H new ATOM 0 HA ASP A 38 0.197 -11.845 -9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.095 -11.854 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.830 -10.984 -7.946 1.00 0.00 H new ATOM 373 N LEU A 39 -0.063 -9.370 -8.986 1.00 0.00 N ATOM 374 CA LEU A 39 0.163 -7.896 -8.993 1.00 0.00 C ATOM 375 C LEU A 39 -1.024 -7.205 -8.328 1.00 0.00 C ATOM 376 O LEU A 39 -2.146 -7.281 -8.787 1.00 0.00 O ATOM 377 CB LEU A 39 0.285 -7.416 -10.444 1.00 0.00 C ATOM 378 CG LEU A 39 1.314 -8.285 -11.180 1.00 0.00 C ATOM 379 CD1 LEU A 39 0.586 -9.431 -11.892 1.00 0.00 C ATOM 380 CD2 LEU A 39 2.026 -7.425 -12.229 1.00 0.00 C ATOM 0 H LEU A 39 -0.762 -9.691 -9.656 1.00 0.00 H new ATOM 0 HA LEU A 39 1.077 -7.657 -8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.683 -7.477 -10.942 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.591 -6.370 -10.469 1.00 0.00 H new ATOM 0 HG LEU A 39 2.036 -8.688 -10.470 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.311 -10.052 -12.417 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.054 -10.036 -11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.126 -9.021 -12.608 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.760 -8.031 -12.759 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.295 -7.037 -12.939 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.530 -6.593 -11.737 1.00 0.00 H new ATOM 392 N LEU A 40 -0.723 -6.546 -7.246 1.00 0.00 N ATOM 393 CA LEU A 40 -1.767 -5.831 -6.467 1.00 0.00 C ATOM 394 C LEU A 40 -1.353 -4.365 -6.266 1.00 0.00 C ATOM 395 O LEU A 40 -0.197 -4.068 -6.048 1.00 0.00 O ATOM 396 CB LEU A 40 -1.870 -6.577 -5.133 1.00 0.00 C ATOM 397 CG LEU A 40 -1.022 -5.897 -4.060 1.00 0.00 C ATOM 398 CD1 LEU A 40 -1.854 -4.809 -3.373 1.00 0.00 C ATOM 399 CD2 LEU A 40 -0.607 -6.950 -3.030 1.00 0.00 C ATOM 0 H LEU A 40 0.219 -6.472 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.731 -5.816 -6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.911 -6.612 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.541 -7.608 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.137 -5.444 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.253 -4.321 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.169 -4.071 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.733 -5.260 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.000 -6.482 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.497 -7.388 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.028 -7.732 -3.522 1.00 0.00 H new ATOM 411 N GLN A 41 -2.289 -3.462 -6.336 1.00 0.00 N ATOM 412 CA GLN A 41 -1.901 -2.030 -6.146 1.00 0.00 C ATOM 413 C GLN A 41 -2.843 -1.235 -5.230 1.00 0.00 C ATOM 414 O GLN A 41 -4.001 -1.559 -5.062 1.00 0.00 O ATOM 415 CB GLN A 41 -1.840 -1.350 -7.526 1.00 0.00 C ATOM 416 CG GLN A 41 -3.024 -1.806 -8.387 1.00 0.00 C ATOM 417 CD GLN A 41 -4.331 -1.404 -7.704 1.00 0.00 C ATOM 418 OE1 GLN A 41 -5.054 -2.336 -7.145 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -4.699 -0.247 -7.661 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.278 -3.640 -6.511 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.931 -2.032 -5.649 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.861 -0.267 -7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.902 -1.598 -8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.964 -1.354 -9.377 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.991 -2.886 -8.528 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.136 0.484 -8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.571 -0.006 -7.189 1.00 0.00 H new ATOM 428 N LEU A 42 -2.280 -0.218 -4.635 1.00 0.00 N ATOM 429 CA LEU A 42 -3.052 0.681 -3.733 1.00 0.00 C ATOM 430 C LEU A 42 -2.676 2.106 -4.136 1.00 0.00 C ATOM 431 O LEU A 42 -1.537 2.490 -3.979 1.00 0.00 O ATOM 432 CB LEU A 42 -2.634 0.430 -2.270 1.00 0.00 C ATOM 433 CG LEU A 42 -1.277 -0.295 -2.227 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.542 0.079 -0.936 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.522 -1.805 -2.218 1.00 0.00 C ATOM 0 H LEU A 42 -1.296 0.031 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.125 0.509 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.567 1.377 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.392 -0.169 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.683 -0.008 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.420 -0.433 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.380 1.157 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.142 -0.220 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.566 -2.328 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.111 -2.073 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.064 -2.091 -3.119 1.00 0.00 H new ATOM 447 N ARG A 43 -3.611 2.846 -4.667 1.00 0.00 N ATOM 448 CA ARG A 43 -3.278 4.238 -5.095 1.00 0.00 C ATOM 449 C ARG A 43 -3.963 5.278 -4.217 1.00 0.00 C ATOM 450 O ARG A 43 -5.173 5.339 -4.114 1.00 0.00 O ATOM 451 CB ARG A 43 -3.718 4.417 -6.552 1.00 0.00 C ATOM 452 CG ARG A 43 -3.269 5.800 -7.044 1.00 0.00 C ATOM 453 CD ARG A 43 -2.443 5.634 -8.327 1.00 0.00 C ATOM 454 NE ARG A 43 -3.228 4.820 -9.300 1.00 0.00 N ATOM 455 CZ ARG A 43 -3.394 5.254 -10.521 1.00 0.00 C ATOM 456 NH1 ARG A 43 -2.457 5.979 -11.069 1.00 0.00 N ATOM 457 NH2 ARG A 43 -4.490 4.944 -11.156 1.00 0.00 N ATOM 0 H ARG A 43 -4.576 2.555 -4.822 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.203 4.386 -4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.282 3.636 -7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.801 4.322 -6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.137 6.431 -7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.676 6.298 -6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.208 6.609 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.494 5.146 -8.105 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.633 3.929 -9.013 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.610 6.199 -10.545 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.572 6.325 -12.022 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.200 4.372 -10.699 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.637 5.274 -12.110 1.00 0.00 H new ATOM 471 N CYS A 44 -3.136 6.097 -3.632 1.00 0.00 N ATOM 472 CA CYS A 44 -3.658 7.156 -2.730 1.00 0.00 C ATOM 473 C CYS A 44 -3.991 8.428 -3.512 1.00 0.00 C ATOM 474 O CYS A 44 -4.276 8.393 -4.693 1.00 0.00 O ATOM 475 CB CYS A 44 -2.577 7.465 -1.696 1.00 0.00 C ATOM 476 SG CYS A 44 -3.109 7.862 -0.012 1.00 0.00 S ATOM 0 H CYS A 44 -2.122 6.078 -3.740 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.572 6.807 -2.250 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.909 6.605 -1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.988 8.303 -2.068 1.00 0.00 H new ATOM 481 N ARG A 45 -3.939 9.525 -2.808 1.00 0.00 N ATOM 482 CA ARG A 45 -4.242 10.847 -3.432 1.00 0.00 C ATOM 483 C ARG A 45 -3.138 11.843 -3.067 1.00 0.00 C ATOM 484 O ARG A 45 -2.132 11.465 -2.499 1.00 0.00 O ATOM 485 CB ARG A 45 -5.585 11.349 -2.884 1.00 0.00 C ATOM 486 CG ARG A 45 -5.379 11.920 -1.469 1.00 0.00 C ATOM 487 CD ARG A 45 -6.229 11.130 -0.472 1.00 0.00 C ATOM 488 NE ARG A 45 -7.655 11.225 -0.891 1.00 0.00 N ATOM 489 CZ ARG A 45 -8.396 10.150 -0.876 1.00 0.00 C ATOM 490 NH1 ARG A 45 -8.857 9.688 -2.005 1.00 0.00 N ATOM 491 NH2 ARG A 45 -8.652 9.590 0.275 1.00 0.00 N ATOM 0 H ARG A 45 -3.697 9.564 -1.818 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.295 10.748 -4.516 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.995 12.116 -3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.307 10.533 -2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.326 11.863 -1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.658 12.974 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.911 10.088 -0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.102 11.529 0.534 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.048 12.119 -1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.637 10.165 -2.879 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.438 8.849 -2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.276 9.993 1.133 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.228 8.749 0.316 1.00 0.00 H new ATOM 505 N LEU A 46 -3.330 13.090 -3.409 1.00 0.00 N ATOM 506 CA LEU A 46 -2.282 14.090 -3.046 1.00 0.00 C ATOM 507 C LEU A 46 -2.898 15.467 -2.777 1.00 0.00 C ATOM 508 O LEU A 46 -3.862 15.853 -3.404 1.00 0.00 O ATOM 509 CB LEU A 46 -1.255 14.182 -4.188 1.00 0.00 C ATOM 510 CG LEU A 46 -1.940 14.644 -5.480 1.00 0.00 C ATOM 511 CD1 LEU A 46 -0.882 15.254 -6.404 1.00 0.00 C ATOM 512 CD2 LEU A 46 -2.555 13.430 -6.191 1.00 0.00 C ATOM 0 H LEU A 46 -4.142 13.453 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.789 13.763 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.462 14.880 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.786 13.211 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.715 15.373 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.355 15.587 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.413 16.104 -5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.124 14.505 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.043 13.755 -7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.770 12.713 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.289 12.959 -5.537 1.00 0.00 H new ATOM 524 N ARG A 47 -2.312 16.214 -1.879 1.00 0.00 N ATOM 525 CA ARG A 47 -2.911 17.551 -1.603 1.00 0.00 C ATOM 526 C ARG A 47 -2.239 18.599 -2.488 1.00 0.00 C ATOM 527 O ARG A 47 -2.647 18.803 -3.615 1.00 0.00 O ATOM 528 CB ARG A 47 -2.715 17.885 -0.120 1.00 0.00 C ATOM 529 CG ARG A 47 -4.018 18.482 0.418 1.00 0.00 C ATOM 530 CD ARG A 47 -4.982 17.337 0.747 1.00 0.00 C ATOM 531 NE ARG A 47 -6.355 17.746 0.338 1.00 0.00 N ATOM 532 CZ ARG A 47 -7.238 18.036 1.254 1.00 0.00 C ATOM 533 NH1 ARG A 47 -8.075 17.111 1.638 1.00 0.00 N ATOM 534 NH2 ARG A 47 -7.254 19.240 1.757 1.00 0.00 N ATOM 0 H ARG A 47 -1.478 15.970 -1.344 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.978 17.543 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.450 16.987 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.894 18.592 0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.821 19.078 1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.462 19.149 -0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.685 16.429 0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.955 17.113 1.813 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.603 17.799 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.032 16.180 1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.772 17.319 2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.583 19.937 1.433 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.937 19.484 2.474 1.00 0.00 H new ATOM 548 N ASP A 48 -1.211 19.228 -1.988 1.00 0.00 N ATOM 549 CA ASP A 48 -0.523 20.254 -2.812 1.00 0.00 C ATOM 550 C ASP A 48 0.692 19.578 -3.440 1.00 0.00 C ATOM 551 O ASP A 48 0.939 19.683 -4.625 1.00 0.00 O ATOM 552 CB ASP A 48 -0.077 21.402 -1.900 1.00 0.00 C ATOM 553 CG ASP A 48 0.504 22.548 -2.738 1.00 0.00 C ATOM 554 OD1 ASP A 48 0.377 22.468 -3.950 1.00 0.00 O ATOM 555 OD2 ASP A 48 1.038 23.448 -2.111 1.00 0.00 O ATOM 0 H ASP A 48 -0.824 19.077 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.177 20.657 -3.585 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.924 21.762 -1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.670 21.044 -1.192 1.00 0.00 H new ATOM 560 N ASP A 49 1.420 18.894 -2.598 1.00 0.00 N ATOM 561 CA ASP A 49 2.637 18.187 -3.079 1.00 0.00 C ATOM 562 C ASP A 49 3.032 17.102 -2.071 1.00 0.00 C ATOM 563 O ASP A 49 4.123 17.136 -1.541 1.00 0.00 O ATOM 564 CB ASP A 49 3.760 19.225 -3.216 1.00 0.00 C ATOM 565 CG ASP A 49 5.039 18.551 -3.720 1.00 0.00 C ATOM 566 OD1 ASP A 49 5.074 18.262 -4.905 1.00 0.00 O ATOM 567 OD2 ASP A 49 5.901 18.359 -2.878 1.00 0.00 O ATOM 0 H ASP A 49 1.224 18.796 -1.602 1.00 0.00 H new ATOM 0 HA ASP A 49 2.453 17.709 -4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.457 20.011 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.945 19.701 -2.253 1.00 0.00 H new ATOM 572 N VAL A 50 2.142 16.178 -1.814 1.00 0.00 N ATOM 573 CA VAL A 50 2.444 15.085 -0.843 1.00 0.00 C ATOM 574 C VAL A 50 3.939 14.959 -0.547 1.00 0.00 C ATOM 575 O VAL A 50 4.758 14.797 -1.431 1.00 0.00 O ATOM 576 CB VAL A 50 1.922 13.767 -1.413 1.00 0.00 C ATOM 577 CG1 VAL A 50 0.398 13.801 -1.390 1.00 0.00 C ATOM 578 CG2 VAL A 50 2.393 13.612 -2.864 1.00 0.00 C ATOM 0 H VAL A 50 1.215 16.134 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 50 1.952 15.327 0.099 1.00 0.00 H new ATOM 0 HB VAL A 50 2.295 12.933 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.007 12.867 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.052 13.926 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.043 14.635 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.020 12.671 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.012 14.441 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.483 13.614 -2.895 1.00 0.00 H new ATOM 588 N GLN A 51 4.236 15.014 0.720 1.00 0.00 N ATOM 589 CA GLN A 51 5.643 14.928 1.182 1.00 0.00 C ATOM 590 C GLN A 51 5.812 13.599 1.903 1.00 0.00 C ATOM 591 O GLN A 51 6.857 12.983 1.855 1.00 0.00 O ATOM 592 CB GLN A 51 5.908 16.069 2.178 1.00 0.00 C ATOM 593 CG GLN A 51 4.893 17.204 1.952 1.00 0.00 C ATOM 594 CD GLN A 51 5.224 17.921 0.644 1.00 0.00 C ATOM 595 OE1 GLN A 51 4.611 18.908 0.291 1.00 0.00 O ATOM 596 NE2 GLN A 51 6.172 17.444 -0.115 1.00 0.00 N ATOM 0 H GLN A 51 3.548 15.117 1.466 1.00 0.00 H new ATOM 0 HA GLN A 51 6.333 15.004 0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.831 15.697 3.200 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.923 16.446 2.052 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.881 16.801 1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.924 17.907 2.784 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.690 16.615 0.176 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.395 17.900 -1.000 1.00 0.00 H new ATOM 605 N SER A 52 4.759 13.192 2.560 1.00 0.00 N ATOM 606 CA SER A 52 4.842 11.906 3.307 1.00 0.00 C ATOM 607 C SER A 52 3.684 10.960 2.976 1.00 0.00 C ATOM 608 O SER A 52 2.576 11.139 3.445 1.00 0.00 O ATOM 609 CB SER A 52 4.833 12.214 4.806 1.00 0.00 C ATOM 610 OG SER A 52 5.187 10.978 5.406 1.00 0.00 O ATOM 0 H SER A 52 3.865 13.681 2.612 1.00 0.00 H new ATOM 0 HA SER A 52 5.763 11.403 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.545 13.000 5.058 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.852 12.554 5.139 1.00 0.00 H new ATOM 0 HG SER A 52 4.444 10.345 5.314 1.00 0.00 H new ATOM 616 N ILE A 53 3.967 9.995 2.140 1.00 0.00 N ATOM 617 CA ILE A 53 2.927 8.995 1.786 1.00 0.00 C ATOM 618 C ILE A 53 3.402 7.659 2.345 1.00 0.00 C ATOM 619 O ILE A 53 4.081 6.898 1.685 1.00 0.00 O ATOM 620 CB ILE A 53 2.806 8.897 0.272 1.00 0.00 C ATOM 621 CG1 ILE A 53 2.586 10.303 -0.310 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.587 8.032 -0.068 1.00 0.00 C ATOM 623 CD1 ILE A 53 3.931 11.042 -0.382 1.00 0.00 C ATOM 0 H ILE A 53 4.872 9.860 1.690 1.00 0.00 H new ATOM 0 HA ILE A 53 1.955 9.274 2.192 1.00 0.00 H new ATOM 0 HB ILE A 53 3.713 8.459 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.144 10.232 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.885 10.860 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.488 7.953 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.717 7.037 0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.689 8.490 0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.777 12.039 -0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.355 11.125 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.617 10.487 -1.022 1.00 0.00 H new ATOM 635 N ASN A 54 3.023 7.414 3.567 1.00 0.00 N ATOM 636 CA ASN A 54 3.443 6.146 4.220 1.00 0.00 C ATOM 637 C ASN A 54 2.399 5.094 3.903 1.00 0.00 C ATOM 638 O ASN A 54 1.226 5.395 3.918 1.00 0.00 O ATOM 639 CB ASN A 54 3.436 6.306 5.737 1.00 0.00 C ATOM 640 CG ASN A 54 3.486 7.769 6.157 1.00 0.00 C ATOM 641 OD1 ASN A 54 4.175 8.590 5.583 1.00 0.00 O ATOM 642 ND2 ASN A 54 2.760 8.112 7.185 1.00 0.00 N ATOM 0 H ASN A 54 2.445 8.032 4.137 1.00 0.00 H new ATOM 0 HA ASN A 54 4.439 5.877 3.867 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.539 5.842 6.146 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.290 5.778 6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.767 9.077 7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.186 7.415 7.659 1.00 0.00 H new ATOM 649 N TRP A 55 2.810 3.886 3.650 1.00 0.00 N ATOM 650 CA TRP A 55 1.785 2.855 3.367 1.00 0.00 C ATOM 651 C TRP A 55 1.749 1.931 4.580 1.00 0.00 C ATOM 652 O TRP A 55 2.624 1.109 4.762 1.00 0.00 O ATOM 653 CB TRP A 55 2.192 2.115 2.101 1.00 0.00 C ATOM 654 CG TRP A 55 1.920 3.048 0.917 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.842 3.822 0.276 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.714 3.237 0.349 1.00 0.00 C ATOM 657 NE1 TRP A 55 2.119 4.428 -0.649 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.824 4.146 -0.681 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.512 2.670 0.645 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.292 4.493 -1.416 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.628 3.012 -0.095 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.518 3.925 -1.126 1.00 0.00 C ATOM 0 H TRP A 55 3.781 3.576 3.627 1.00 0.00 H new ATOM 0 HA TRP A 55 0.793 3.275 3.203 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.246 1.841 2.139 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.625 1.190 1.998 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.899 3.916 0.475 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.538 5.083 -1.309 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.597 1.960 1.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.207 5.210 -2.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.585 2.566 0.132 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.389 4.195 -1.705 1.00 0.00 H new ATOM 673 N LEU A 56 0.709 2.050 5.361 1.00 0.00 N ATOM 674 CA LEU A 56 0.630 1.213 6.582 1.00 0.00 C ATOM 675 C LEU A 56 0.181 -0.183 6.167 1.00 0.00 C ATOM 676 O LEU A 56 -0.954 -0.367 5.775 1.00 0.00 O ATOM 677 CB LEU A 56 -0.447 1.757 7.538 1.00 0.00 C ATOM 678 CG LEU A 56 -0.301 3.263 7.772 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.677 3.801 8.181 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.660 3.506 8.936 1.00 0.00 C ATOM 0 H LEU A 56 -0.076 2.682 5.206 1.00 0.00 H new ATOM 0 HA LEU A 56 1.603 1.211 7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.435 1.548 7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.382 1.234 8.492 1.00 0.00 H new ATOM 0 HG LEU A 56 0.074 3.750 6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.610 4.875 8.356 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.395 3.607 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.005 3.304 9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.765 4.578 9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.267 3.035 9.837 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.634 3.079 8.699 1.00 0.00 H new ATOM 692 N ARG A 57 1.077 -1.125 6.273 1.00 0.00 N ATOM 693 CA ARG A 57 0.720 -2.518 5.896 1.00 0.00 C ATOM 694 C ARG A 57 0.015 -3.093 7.112 1.00 0.00 C ATOM 695 O ARG A 57 0.368 -2.761 8.223 1.00 0.00 O ATOM 696 CB ARG A 57 2.000 -3.309 5.613 1.00 0.00 C ATOM 697 CG ARG A 57 1.677 -4.812 5.569 1.00 0.00 C ATOM 698 CD ARG A 57 2.038 -5.432 6.924 1.00 0.00 C ATOM 699 NE ARG A 57 1.632 -6.870 6.921 1.00 0.00 N ATOM 700 CZ ARG A 57 1.479 -7.482 8.067 1.00 0.00 C ATOM 701 NH1 ARG A 57 1.899 -6.885 9.149 1.00 0.00 N ATOM 702 NH2 ARG A 57 0.920 -8.662 8.122 1.00 0.00 N ATOM 0 H ARG A 57 2.033 -0.991 6.602 1.00 0.00 H new ATOM 0 HA ARG A 57 0.093 -2.561 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.434 -2.992 4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.742 -3.108 6.386 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.620 -4.965 5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.239 -5.296 4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.109 -5.343 7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.532 -4.899 7.729 1.00 0.00 H new ATOM 0 HE ARG A 57 1.477 -7.365 6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.334 -5.964 9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.792 -7.339 10.056 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.598 -9.114 7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.805 -9.131 9.021 1.00 0.00 H new ATOM 716 N ASP A 58 -1.004 -3.866 6.874 1.00 0.00 N ATOM 717 CA ASP A 58 -1.754 -4.471 8.010 1.00 0.00 C ATOM 718 C ASP A 58 -2.338 -3.366 8.890 1.00 0.00 C ATOM 719 O ASP A 58 -3.521 -3.102 8.828 1.00 0.00 O ATOM 720 CB ASP A 58 -0.807 -5.353 8.828 1.00 0.00 C ATOM 721 CG ASP A 58 -1.585 -5.980 9.987 1.00 0.00 C ATOM 722 OD1 ASP A 58 -2.457 -6.777 9.683 1.00 0.00 O ATOM 723 OD2 ASP A 58 -1.263 -5.624 11.109 1.00 0.00 O ATOM 0 H ASP A 58 -1.351 -4.106 5.945 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.571 -5.082 7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.379 -6.132 8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.024 -4.760 9.210 1.00 0.00 H new ATOM 728 N GLY A 59 -1.497 -2.771 9.696 1.00 0.00 N ATOM 729 CA GLY A 59 -1.958 -1.663 10.580 1.00 0.00 C ATOM 730 C GLY A 59 -0.775 -0.800 11.045 1.00 0.00 C ATOM 731 O GLY A 59 -0.885 -0.074 12.013 1.00 0.00 O ATOM 0 H GLY A 59 -0.508 -3.007 9.779 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.677 -1.042 10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.474 -2.076 11.447 1.00 0.00 H new ATOM 735 N VAL A 60 0.330 -0.896 10.351 1.00 0.00 N ATOM 736 CA VAL A 60 1.523 -0.087 10.753 1.00 0.00 C ATOM 737 C VAL A 60 2.332 0.383 9.535 1.00 0.00 C ATOM 738 O VAL A 60 2.410 -0.301 8.534 1.00 0.00 O ATOM 739 CB VAL A 60 2.408 -0.954 11.660 1.00 0.00 C ATOM 740 CG1 VAL A 60 2.873 -2.189 10.880 1.00 0.00 C ATOM 741 CG2 VAL A 60 3.639 -0.145 12.086 1.00 0.00 C ATOM 0 H VAL A 60 0.459 -1.491 9.533 1.00 0.00 H new ATOM 0 HA VAL A 60 1.182 0.805 11.279 1.00 0.00 H new ATOM 0 HB VAL A 60 1.841 -1.261 12.539 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.502 -2.808 11.520 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.005 -2.764 10.558 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.443 -1.874 10.006 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.271 -0.756 12.730 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.203 0.153 11.202 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.320 0.744 12.629 1.00 0.00 H new ATOM 751 N GLN A 61 2.926 1.541 9.663 1.00 0.00 N ATOM 752 CA GLN A 61 3.739 2.101 8.541 1.00 0.00 C ATOM 753 C GLN A 61 4.519 1.027 7.814 1.00 0.00 C ATOM 754 O GLN A 61 5.140 0.173 8.414 1.00 0.00 O ATOM 755 CB GLN A 61 4.733 3.111 9.092 1.00 0.00 C ATOM 756 CG GLN A 61 5.116 4.088 7.977 1.00 0.00 C ATOM 757 CD GLN A 61 6.408 3.606 7.312 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.384 3.278 6.050 1.00 0.00 O flip ATOM 759 NE2 GLN A 61 7.448 3.525 7.934 1.00 0.00 N flip ATOM 0 H GLN A 61 2.883 2.125 10.498 1.00 0.00 H new ATOM 0 HA GLN A 61 3.046 2.566 7.840 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.296 3.650 9.932 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.620 2.601 9.467 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.315 4.151 7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.254 5.089 8.385 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.473 3.780 8.921 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.296 3.202 7.469 1.00 0.00 H new ATOM 768 N LEU A 62 4.466 1.128 6.518 1.00 0.00 N ATOM 769 CA LEU A 62 5.185 0.145 5.676 1.00 0.00 C ATOM 770 C LEU A 62 5.403 0.702 4.275 1.00 0.00 C ATOM 771 O LEU A 62 4.955 1.775 3.910 1.00 0.00 O ATOM 772 CB LEU A 62 4.332 -1.121 5.546 1.00 0.00 C ATOM 773 CG LEU A 62 5.121 -2.383 5.974 1.00 0.00 C ATOM 774 CD1 LEU A 62 6.404 -2.522 5.150 1.00 0.00 C ATOM 775 CD2 LEU A 62 5.504 -2.286 7.453 1.00 0.00 C ATOM 0 H LEU A 62 3.956 1.849 6.008 1.00 0.00 H new ATOM 0 HA LEU A 62 6.146 -0.072 6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.438 -1.023 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.998 -1.232 4.514 1.00 0.00 H new ATOM 0 HG LEU A 62 4.483 -3.251 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.944 -3.415 5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.150 -2.606 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.032 -1.644 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.058 -3.178 7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.126 -1.405 7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.601 -2.206 8.058 1.00 0.00 H new ATOM 787 N VAL A 63 6.125 -0.108 3.562 1.00 0.00 N ATOM 788 CA VAL A 63 6.469 0.164 2.139 1.00 0.00 C ATOM 789 C VAL A 63 6.799 -1.166 1.426 1.00 0.00 C ATOM 790 O VAL A 63 6.421 -2.227 1.885 1.00 0.00 O ATOM 791 CB VAL A 63 7.668 1.111 2.083 1.00 0.00 C ATOM 792 CG1 VAL A 63 7.455 2.295 3.030 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.940 0.366 2.506 1.00 0.00 C ATOM 0 H VAL A 63 6.507 -0.983 3.920 1.00 0.00 H new ATOM 0 HA VAL A 63 5.623 0.632 1.635 1.00 0.00 H new ATOM 0 HB VAL A 63 7.771 1.475 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.317 2.961 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.558 2.840 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.339 1.929 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.791 1.046 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.822 -0.006 3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.112 -0.472 1.831 1.00 0.00 H new ATOM 843 N ARG A 67 9.415 -7.727 -3.970 1.00 0.00 N ATOM 844 CA ARG A 67 8.939 -7.240 -5.303 1.00 0.00 C ATOM 845 C ARG A 67 7.872 -6.133 -5.202 1.00 0.00 C ATOM 846 O ARG A 67 6.799 -6.245 -5.760 1.00 0.00 O ATOM 847 CB ARG A 67 8.343 -8.426 -6.061 1.00 0.00 C ATOM 848 CG ARG A 67 9.444 -9.160 -6.829 1.00 0.00 C ATOM 849 CD ARG A 67 8.852 -10.489 -7.296 1.00 0.00 C ATOM 850 NE ARG A 67 9.552 -10.940 -8.530 1.00 0.00 N ATOM 851 CZ ARG A 67 8.849 -11.459 -9.500 1.00 0.00 C ATOM 852 NH1 ARG A 67 7.640 -11.886 -9.248 1.00 0.00 N ATOM 853 NH2 ARG A 67 9.378 -11.536 -10.690 1.00 0.00 N ATOM 0 HA ARG A 67 9.797 -6.810 -5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.858 -9.108 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.575 -8.078 -6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.781 -8.568 -7.680 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.313 -9.327 -6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.954 -11.240 -6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.786 -10.375 -7.491 1.00 0.00 H new ATOM 0 HE ARG A 67 10.564 -10.845 -8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.259 -11.811 -8.305 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.077 -12.294 -9.994 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.325 -11.194 -10.850 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.844 -11.938 -11.460 1.00 0.00 H new ATOM 867 N THR A 68 8.154 -5.082 -4.481 1.00 0.00 N ATOM 868 CA THR A 68 7.139 -4.004 -4.400 1.00 0.00 C ATOM 869 C THR A 68 7.789 -2.695 -4.835 1.00 0.00 C ATOM 870 O THR A 68 8.941 -2.431 -4.552 1.00 0.00 O ATOM 871 CB THR A 68 6.622 -3.922 -2.962 1.00 0.00 C ATOM 872 OG1 THR A 68 5.772 -5.050 -2.844 1.00 0.00 O ATOM 873 CG2 THR A 68 5.674 -2.726 -2.795 1.00 0.00 C ATOM 0 H THR A 68 9.017 -4.928 -3.960 1.00 0.00 H new ATOM 0 HA THR A 68 6.293 -4.207 -5.057 1.00 0.00 H new ATOM 0 HB THR A 68 7.451 -3.856 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.895 -5.461 -1.963 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.317 -2.685 -1.766 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.206 -1.804 -3.031 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.825 -2.838 -3.469 1.00 0.00 H new ATOM 881 N ARG A 69 7.009 -1.909 -5.518 1.00 0.00 N ATOM 882 CA ARG A 69 7.503 -0.607 -6.027 1.00 0.00 C ATOM 883 C ARG A 69 6.684 0.459 -5.317 1.00 0.00 C ATOM 884 O ARG A 69 5.585 0.792 -5.715 1.00 0.00 O ATOM 885 CB ARG A 69 7.273 -0.544 -7.538 1.00 0.00 C ATOM 886 CG ARG A 69 8.301 0.413 -8.142 1.00 0.00 C ATOM 887 CD ARG A 69 8.060 0.505 -9.651 1.00 0.00 C ATOM 888 NE ARG A 69 9.076 1.429 -10.230 1.00 0.00 N ATOM 889 CZ ARG A 69 9.911 0.981 -11.127 1.00 0.00 C ATOM 890 NH1 ARG A 69 11.093 0.581 -10.745 1.00 0.00 N ATOM 891 NH2 ARG A 69 9.536 0.948 -12.377 1.00 0.00 N ATOM 0 H ARG A 69 6.037 -2.118 -5.747 1.00 0.00 H new ATOM 0 HA ARG A 69 8.568 -0.466 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.373 -1.536 -7.979 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.262 -0.200 -7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.214 1.399 -7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.312 0.057 -7.942 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.138 -0.481 -10.109 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.054 0.872 -9.853 1.00 0.00 H new ATOM 0 HE ARG A 69 9.118 2.402 -9.928 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.351 0.622 -9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.759 0.228 -11.432 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.604 1.269 -12.638 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.175 0.601 -13.092 1.00 0.00 H new ATOM 905 N ILE A 70 7.200 0.882 -4.201 1.00 0.00 N ATOM 906 CA ILE A 70 6.476 1.925 -3.433 1.00 0.00 C ATOM 907 C ILE A 70 6.732 3.316 -3.978 1.00 0.00 C ATOM 908 O ILE A 70 7.861 3.718 -4.180 1.00 0.00 O ATOM 909 CB ILE A 70 6.961 1.947 -1.997 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.511 1.958 -2.022 1.00 0.00 C ATOM 911 CG2 ILE A 70 6.449 0.710 -1.268 1.00 0.00 C ATOM 912 CD1 ILE A 70 9.071 2.064 -0.614 1.00 0.00 C ATOM 0 H ILE A 70 8.077 0.557 -3.793 1.00 0.00 H new ATOM 0 HA ILE A 70 5.417 1.676 -3.509 1.00 0.00 H new ATOM 0 HB ILE A 70 6.591 2.829 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.878 1.048 -2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.864 2.796 -2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.798 0.726 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.359 0.704 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.824 -0.186 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.160 2.070 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.720 2.987 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.735 1.212 -0.024 1.00 0.00 H new ATOM 924 N THR A 71 5.667 4.018 -4.231 1.00 0.00 N ATOM 925 CA THR A 71 5.841 5.409 -4.695 1.00 0.00 C ATOM 926 C THR A 71 5.118 6.303 -3.673 1.00 0.00 C ATOM 927 O THR A 71 4.097 5.918 -3.135 1.00 0.00 O ATOM 928 CB THR A 71 5.242 5.573 -6.093 1.00 0.00 C ATOM 929 OG1 THR A 71 3.859 5.759 -5.851 1.00 0.00 O ATOM 930 CG2 THR A 71 5.324 4.260 -6.880 1.00 0.00 C ATOM 0 H THR A 71 4.704 3.694 -4.138 1.00 0.00 H new ATOM 0 HA THR A 71 6.894 5.682 -4.765 1.00 0.00 H new ATOM 0 HB THR A 71 5.750 6.368 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.402 4.893 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.892 4.402 -7.871 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.367 3.960 -6.979 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.771 3.484 -6.351 1.00 0.00 H new ATOM 938 N GLY A 72 5.715 7.428 -3.381 1.00 0.00 N ATOM 939 CA GLY A 72 5.120 8.396 -2.409 1.00 0.00 C ATOM 940 C GLY A 72 3.808 9.010 -2.917 1.00 0.00 C ATOM 941 O GLY A 72 3.589 10.203 -2.843 1.00 0.00 O ATOM 0 H GLY A 72 6.605 7.723 -3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.937 7.888 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.837 9.193 -2.210 1.00 0.00 H new ATOM 945 N GLU A 73 2.999 8.161 -3.480 1.00 0.00 N ATOM 946 CA GLU A 73 1.664 8.557 -4.003 1.00 0.00 C ATOM 947 C GLU A 73 0.819 7.283 -4.136 1.00 0.00 C ATOM 948 O GLU A 73 -0.377 7.276 -3.917 1.00 0.00 O ATOM 949 CB GLU A 73 1.841 9.224 -5.373 1.00 0.00 C ATOM 950 CG GLU A 73 2.649 8.292 -6.286 1.00 0.00 C ATOM 951 CD GLU A 73 2.873 8.959 -7.649 1.00 0.00 C ATOM 952 OE1 GLU A 73 2.391 10.070 -7.810 1.00 0.00 O ATOM 953 OE2 GLU A 73 3.519 8.311 -8.456 1.00 0.00 O ATOM 0 H GLU A 73 3.217 7.172 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 73 1.171 9.262 -3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.868 9.434 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.354 10.179 -5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.608 8.058 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.120 7.348 -6.416 1.00 0.00 H new ATOM 960 N GLU A 74 1.471 6.209 -4.494 1.00 0.00 N ATOM 961 CA GLU A 74 0.742 4.931 -4.666 1.00 0.00 C ATOM 962 C GLU A 74 1.738 3.807 -4.419 1.00 0.00 C ATOM 963 O GLU A 74 2.935 3.995 -4.477 1.00 0.00 O ATOM 964 CB GLU A 74 0.188 4.888 -6.104 1.00 0.00 C ATOM 965 CG GLU A 74 0.036 3.435 -6.592 1.00 0.00 C ATOM 966 CD GLU A 74 1.370 2.934 -7.162 1.00 0.00 C ATOM 967 OE1 GLU A 74 2.327 3.675 -7.019 1.00 0.00 O ATOM 968 OE2 GLU A 74 1.350 1.839 -7.698 1.00 0.00 O ATOM 0 H GLU A 74 2.474 6.167 -4.673 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.093 4.829 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.778 5.391 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.856 5.432 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.280 2.796 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.740 3.378 -7.355 1.00 0.00 H new ATOM 975 N VAL A 75 1.234 2.655 -4.107 1.00 0.00 N ATOM 976 CA VAL A 75 2.170 1.530 -3.880 1.00 0.00 C ATOM 977 C VAL A 75 1.772 0.362 -4.751 1.00 0.00 C ATOM 978 O VAL A 75 0.618 -0.011 -4.806 1.00 0.00 O ATOM 979 CB VAL A 75 2.128 1.139 -2.406 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.461 -0.351 -2.251 1.00 0.00 C ATOM 981 CG2 VAL A 75 3.205 1.948 -1.704 1.00 0.00 C ATOM 0 H VAL A 75 0.242 2.445 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 75 3.186 1.827 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 75 1.139 1.328 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.429 -0.623 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.732 -0.946 -2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.459 -0.544 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.212 1.700 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.177 1.714 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.000 3.011 -1.827 1.00 0.00 H new ATOM 991 N GLU A 76 2.736 -0.124 -5.478 1.00 0.00 N ATOM 992 CA GLU A 76 2.448 -1.308 -6.337 1.00 0.00 C ATOM 993 C GLU A 76 3.148 -2.535 -5.746 1.00 0.00 C ATOM 994 O GLU A 76 4.359 -2.568 -5.687 1.00 0.00 O ATOM 995 CB GLU A 76 2.988 -1.040 -7.744 1.00 0.00 C ATOM 996 CG GLU A 76 2.661 -2.245 -8.634 1.00 0.00 C ATOM 997 CD GLU A 76 3.248 -2.008 -10.028 1.00 0.00 C ATOM 998 OE1 GLU A 76 2.788 -1.068 -10.655 1.00 0.00 O ATOM 999 OE2 GLU A 76 4.122 -2.782 -10.383 1.00 0.00 O ATOM 0 H GLU A 76 3.690 0.235 -5.517 1.00 0.00 H new ATOM 0 HA GLU A 76 1.374 -1.488 -6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.541 -0.135 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.065 -0.876 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.074 -3.156 -8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.582 -2.384 -8.698 1.00 0.00 H new ATOM 1006 N VAL A 77 2.387 -3.516 -5.338 1.00 0.00 N ATOM 1007 CA VAL A 77 3.003 -4.748 -4.762 1.00 0.00 C ATOM 1008 C VAL A 77 2.813 -5.769 -5.881 1.00 0.00 C ATOM 1009 O VAL A 77 1.714 -6.198 -6.156 1.00 0.00 O ATOM 1010 CB VAL A 77 2.250 -5.170 -3.460 1.00 0.00 C ATOM 1011 CG1 VAL A 77 3.269 -5.326 -2.331 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.264 -4.071 -3.038 1.00 0.00 C ATOM 0 H VAL A 77 1.368 -3.518 -5.378 1.00 0.00 H new ATOM 0 HA VAL A 77 4.047 -4.632 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 77 1.716 -6.101 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.756 -5.621 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.997 -6.091 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.782 -4.378 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.745 -4.377 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.809 -3.146 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.537 -3.909 -3.834 1.00 0.00 H new ATOM 1022 N ARG A 78 3.885 -6.140 -6.521 1.00 0.00 N ATOM 1023 CA ARG A 78 3.772 -7.076 -7.670 1.00 0.00 C ATOM 1024 C ARG A 78 4.296 -8.436 -7.230 1.00 0.00 C ATOM 1025 O ARG A 78 5.307 -8.920 -7.695 1.00 0.00 O ATOM 1026 CB ARG A 78 4.608 -6.479 -8.812 1.00 0.00 C ATOM 1027 CG ARG A 78 4.628 -7.426 -10.012 1.00 0.00 C ATOM 1028 CD ARG A 78 5.917 -8.243 -9.955 1.00 0.00 C ATOM 1029 NE ARG A 78 6.610 -8.127 -11.269 1.00 0.00 N ATOM 1030 CZ ARG A 78 7.824 -7.649 -11.313 1.00 0.00 C ATOM 1031 NH1 ARG A 78 7.998 -6.394 -11.625 1.00 0.00 N ATOM 1032 NH2 ARG A 78 8.824 -8.443 -11.041 1.00 0.00 N ATOM 0 H ARG A 78 4.833 -5.836 -6.298 1.00 0.00 H new ATOM 0 HA ARG A 78 2.745 -7.209 -8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.194 -5.515 -9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.626 -6.296 -8.468 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.760 -8.084 -9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.577 -6.861 -10.943 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.561 -7.879 -9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.694 -9.287 -9.735 1.00 0.00 H new ATOM 0 HE ARG A 78 6.140 -8.418 -12.126 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.192 -5.803 -11.830 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.940 -6.004 -11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.650 -9.418 -10.799 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.780 -8.088 -11.070 1.00 0.00 H new ATOM 1046 N ASP A 79 3.605 -9.008 -6.287 1.00 0.00 N ATOM 1047 CA ASP A 79 4.057 -10.326 -5.785 1.00 0.00 C ATOM 1048 C ASP A 79 2.931 -11.036 -5.047 1.00 0.00 C ATOM 1049 O ASP A 79 2.749 -12.229 -5.186 1.00 0.00 O ATOM 1050 CB ASP A 79 5.239 -10.091 -4.835 1.00 0.00 C ATOM 1051 CG ASP A 79 6.385 -11.063 -5.148 1.00 0.00 C ATOM 1052 OD1 ASP A 79 6.461 -11.491 -6.289 1.00 0.00 O ATOM 1053 OD2 ASP A 79 7.156 -11.283 -4.230 1.00 0.00 O ATOM 0 H ASP A 79 2.765 -8.628 -5.851 1.00 0.00 H new ATOM 0 HA ASP A 79 4.357 -10.957 -6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.590 -9.064 -4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.915 -10.223 -3.803 1.00 0.00 H new ATOM 1058 N SER A 80 2.150 -10.274 -4.331 1.00 0.00 N ATOM 1059 CA SER A 80 1.074 -10.919 -3.532 1.00 0.00 C ATOM 1060 C SER A 80 1.789 -12.013 -2.741 1.00 0.00 C ATOM 1061 O SER A 80 1.772 -13.172 -3.108 1.00 0.00 O ATOM 1062 CB SER A 80 0.032 -11.517 -4.477 1.00 0.00 C ATOM 1063 OG SER A 80 -0.495 -10.376 -5.140 1.00 0.00 O ATOM 0 H SER A 80 2.208 -9.258 -4.265 1.00 0.00 H new ATOM 0 HA SER A 80 0.549 -10.225 -2.875 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.481 -12.220 -5.179 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.741 -12.060 -3.933 1.00 0.00 H new ATOM 0 HG SER A 80 -1.029 -9.849 -4.510 1.00 0.00 H new ATOM 1069 N ILE A 81 2.418 -11.594 -1.679 1.00 0.00 N ATOM 1070 CA ILE A 81 3.197 -12.544 -0.840 1.00 0.00 C ATOM 1071 C ILE A 81 2.912 -12.161 0.603 1.00 0.00 C ATOM 1072 O ILE A 81 2.489 -11.050 0.846 1.00 0.00 O ATOM 1073 CB ILE A 81 4.693 -12.362 -1.170 1.00 0.00 C ATOM 1074 CG1 ILE A 81 5.102 -10.882 -0.981 1.00 0.00 C ATOM 1075 CG2 ILE A 81 4.925 -12.766 -2.627 1.00 0.00 C ATOM 1076 CD1 ILE A 81 5.805 -10.745 0.372 1.00 0.00 C ATOM 0 H ILE A 81 2.425 -10.627 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 81 2.930 -13.586 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 81 5.292 -12.983 -0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.765 -10.566 -1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.224 -10.238 -1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.979 -12.643 -2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.639 -13.809 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.322 -12.135 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.102 -9.707 0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.125 -11.049 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.690 -11.381 0.388 1.00 0.00 H new ATOM 1088 N PRO A 82 3.135 -13.069 1.518 1.00 0.00 N ATOM 1089 CA PRO A 82 2.480 -13.026 2.847 1.00 0.00 C ATOM 1090 C PRO A 82 2.412 -11.593 3.385 1.00 0.00 C ATOM 1091 O PRO A 82 1.546 -11.245 4.160 1.00 0.00 O ATOM 1092 CB PRO A 82 3.344 -13.933 3.728 1.00 0.00 C ATOM 1093 CG PRO A 82 4.173 -14.826 2.758 1.00 0.00 C ATOM 1094 CD PRO A 82 4.117 -14.168 1.362 1.00 0.00 C ATOM 0 HA PRO A 82 1.444 -13.364 2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.999 -13.343 4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.723 -14.544 4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.204 -14.911 3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.765 -15.836 2.723 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.094 -13.790 1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.801 -14.879 0.599 1.00 0.00 H new ATOM 1102 N ALA A 83 3.346 -10.788 2.967 1.00 0.00 N ATOM 1103 CA ALA A 83 3.349 -9.372 3.424 1.00 0.00 C ATOM 1104 C ALA A 83 1.962 -8.725 3.316 1.00 0.00 C ATOM 1105 O ALA A 83 1.519 -8.074 4.240 1.00 0.00 O ATOM 1106 CB ALA A 83 4.333 -8.589 2.559 1.00 0.00 C ATOM 0 H ALA A 83 4.102 -11.046 2.333 1.00 0.00 H new ATOM 0 HA ALA A 83 3.640 -9.353 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.350 -7.547 2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.330 -9.017 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.023 -8.643 1.515 1.00 0.00 H new ATOM 1112 N ASP A 84 1.303 -8.968 2.212 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.033 -8.359 1.968 1.00 0.00 C ATOM 1114 C ASP A 84 -1.183 -9.008 2.749 1.00 0.00 C ATOM 1115 O ASP A 84 -2.283 -9.121 2.249 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.309 -8.445 0.470 1.00 0.00 C ATOM 1117 CG ASP A 84 0.962 -8.029 -0.276 1.00 0.00 C ATOM 1118 OD1 ASP A 84 1.193 -6.832 -0.322 1.00 0.00 O ATOM 1119 OD2 ASP A 84 1.633 -8.937 -0.737 1.00 0.00 O ATOM 0 H ASP A 84 1.641 -9.571 1.462 1.00 0.00 H new ATOM 0 HA ASP A 84 0.005 -7.330 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.597 -9.460 0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.139 -7.793 0.199 1.00 0.00 H new ATOM 1124 N SER A 85 -0.887 -9.510 3.916 1.00 0.00 N ATOM 1125 CA SER A 85 -1.976 -10.086 4.761 1.00 0.00 C ATOM 1126 C SER A 85 -2.440 -9.048 5.796 1.00 0.00 C ATOM 1127 O SER A 85 -2.138 -9.172 6.967 1.00 0.00 O ATOM 1128 CB SER A 85 -1.428 -11.298 5.500 1.00 0.00 C ATOM 1129 OG SER A 85 -0.250 -10.780 6.098 1.00 0.00 O ATOM 0 H SER A 85 0.049 -9.548 4.319 1.00 0.00 H new ATOM 0 HA SER A 85 -2.817 -10.368 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.131 -11.673 6.244 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.211 -12.124 4.822 1.00 0.00 H new ATOM 0 HG SER A 85 0.536 -11.122 5.622 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.160 -8.047 5.364 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.624 -7.023 6.349 1.00 0.00 C ATOM 1137 C GLY A 86 -4.172 -5.769 5.655 1.00 0.00 C ATOM 1138 O GLY A 86 -4.472 -5.781 4.478 1.00 0.00 O ATOM 0 H GLY A 86 -3.442 -7.894 4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.398 -7.454 6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.796 -6.745 7.001 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.307 -4.696 6.387 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.841 -3.475 5.729 1.00 0.00 C ATOM 1144 C LEU A 87 -3.692 -2.615 5.208 1.00 0.00 C ATOM 1145 O LEU A 87 -2.750 -2.320 5.915 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.664 -2.660 6.743 1.00 0.00 C ATOM 1147 CG LEU A 87 -6.878 -3.468 7.244 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.554 -4.179 6.066 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -6.424 -4.515 8.270 1.00 0.00 C ATOM 0 H LEU A 87 -4.079 -4.613 7.378 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.475 -3.773 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.034 -2.381 7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.005 -1.734 6.280 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.585 -2.783 7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.411 -4.748 6.427 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.890 -3.440 5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.843 -4.856 5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.288 -5.081 8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.709 -5.194 7.805 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.953 -4.015 9.116 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.800 -2.251 3.960 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.772 -1.391 3.325 1.00 0.00 C ATOM 1163 C TYR A 88 -3.418 -0.027 3.181 1.00 0.00 C ATOM 1164 O TYR A 88 -4.063 0.283 2.201 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.432 -1.943 1.951 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.362 -3.005 2.144 1.00 0.00 C ATOM 1167 CD1 TYR A 88 -1.707 -4.256 2.602 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -0.038 -2.710 1.905 1.00 0.00 C ATOM 1169 CE1 TYR A 88 -0.738 -5.206 2.822 1.00 0.00 C ATOM 1170 CE2 TYR A 88 0.934 -3.658 2.126 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.592 -4.913 2.584 1.00 0.00 C ATOM 1172 OH TYR A 88 1.571 -5.862 2.791 1.00 0.00 O ATOM 0 H TYR A 88 -4.570 -2.519 3.347 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.854 -1.346 3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.317 -2.370 1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.072 -1.149 1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.744 -4.493 2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.238 -1.731 1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.017 -6.185 3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.970 -3.418 1.940 1.00 0.00 H new ATOM 0 HH TYR A 88 1.337 -6.408 3.570 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.249 0.747 4.206 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.863 2.103 4.182 1.00 0.00 C ATOM 1184 C ALA A 89 -2.757 3.130 3.953 1.00 0.00 C ATOM 1185 O ALA A 89 -1.710 3.046 4.561 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.529 2.357 5.533 1.00 0.00 C ATOM 0 H ALA A 89 -2.723 0.511 5.048 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.605 2.179 3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.985 3.347 5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.297 1.604 5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.781 2.302 6.324 1.00 0.00 H new ATOM 1192 N CYS A 90 -2.982 4.090 3.102 1.00 0.00 N ATOM 1193 CA CYS A 90 -1.890 5.074 2.885 1.00 0.00 C ATOM 1194 C CYS A 90 -2.132 6.308 3.729 1.00 0.00 C ATOM 1195 O CYS A 90 -3.240 6.798 3.796 1.00 0.00 O ATOM 1196 CB CYS A 90 -1.853 5.506 1.425 1.00 0.00 C ATOM 1197 SG CYS A 90 -1.542 7.261 1.112 1.00 0.00 S ATOM 0 H CYS A 90 -3.838 4.234 2.567 1.00 0.00 H new ATOM 0 HA CYS A 90 -0.947 4.602 3.161 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.082 4.927 0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -2.805 5.241 0.966 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.075 6.746 4.349 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.137 7.971 5.189 1.00 0.00 C ATOM 1204 C VAL A 91 -0.409 9.036 4.381 1.00 0.00 C ATOM 1205 O VAL A 91 0.804 9.053 4.308 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.406 7.744 6.507 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.042 8.619 7.589 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -0.532 6.277 6.907 1.00 0.00 C ATOM 0 H VAL A 91 -0.158 6.301 4.309 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.163 8.252 5.426 1.00 0.00 H new ATOM 0 HB VAL A 91 0.647 8.003 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.524 8.462 8.535 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.963 9.668 7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.093 8.352 7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.010 6.111 7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.585 6.021 7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.091 5.650 6.133 1.00 0.00 H new ATOM 1218 N THR A 92 -1.197 9.878 3.782 1.00 0.00 N ATOM 1219 CA THR A 92 -0.665 10.960 2.915 1.00 0.00 C ATOM 1220 C THR A 92 -0.517 12.227 3.746 1.00 0.00 C ATOM 1221 O THR A 92 -1.376 12.521 4.553 1.00 0.00 O ATOM 1222 CB THR A 92 -1.694 11.204 1.811 1.00 0.00 C ATOM 1223 OG1 THR A 92 -2.556 10.077 1.886 1.00 0.00 O ATOM 1224 CG2 THR A 92 -1.072 11.071 0.432 1.00 0.00 C ATOM 0 H THR A 92 -2.214 9.861 3.859 1.00 0.00 H new ATOM 0 HA THR A 92 0.302 10.687 2.493 1.00 0.00 H new ATOM 0 HB THR A 92 -2.144 12.189 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.210 9.362 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.832 11.251 -0.329 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.270 11.801 0.323 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.668 10.066 0.311 1.00 0.00 H new ATOM 1232 N SER A 93 0.546 12.950 3.513 1.00 0.00 N ATOM 1233 CA SER A 93 0.763 14.207 4.283 1.00 0.00 C ATOM 1234 C SER A 93 1.270 15.272 3.324 1.00 0.00 C ATOM 1235 O SER A 93 2.271 15.069 2.667 1.00 0.00 O ATOM 1236 CB SER A 93 1.822 13.974 5.355 1.00 0.00 C ATOM 1237 OG SER A 93 1.518 14.949 6.342 1.00 0.00 O ATOM 0 H SER A 93 1.268 12.726 2.828 1.00 0.00 H new ATOM 0 HA SER A 93 -0.170 14.520 4.753 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.767 12.963 5.760 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.829 14.105 4.959 1.00 0.00 H new ATOM 0 HG SER A 93 2.155 14.874 7.083 1.00 0.00 H new ATOM 1243 N SER A 94 0.567 16.369 3.285 1.00 0.00 N ATOM 1244 CA SER A 94 0.957 17.487 2.383 1.00 0.00 C ATOM 1245 C SER A 94 0.736 18.788 3.150 1.00 0.00 C ATOM 1246 O SER A 94 -0.309 18.992 3.733 1.00 0.00 O ATOM 1247 CB SER A 94 0.053 17.446 1.153 1.00 0.00 C ATOM 1248 OG SER A 94 0.442 18.577 0.386 1.00 0.00 O ATOM 0 H SER A 94 -0.268 16.540 3.845 1.00 0.00 H new ATOM 0 HA SER A 94 1.997 17.409 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.188 16.521 0.592 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.999 17.499 1.432 1.00 0.00 H new ATOM 0 HG SER A 94 -0.038 19.369 0.705 1.00 0.00 H new ATOM 1254 N PRO A 95 1.742 19.619 3.163 1.00 0.00 N ATOM 1255 CA PRO A 95 2.546 19.877 4.382 1.00 0.00 C ATOM 1256 C PRO A 95 1.728 20.487 5.532 1.00 0.00 C ATOM 1257 O PRO A 95 2.252 20.716 6.604 1.00 0.00 O ATOM 1258 CB PRO A 95 3.646 20.848 3.928 1.00 0.00 C ATOM 1259 CG PRO A 95 3.339 21.247 2.453 1.00 0.00 C ATOM 1260 CD PRO A 95 2.167 20.375 1.963 1.00 0.00 C ATOM 0 HA PRO A 95 2.937 18.943 4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.666 21.730 4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.627 20.378 4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.081 22.304 2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.217 21.094 1.825 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.354 20.986 1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.478 19.705 1.161 1.00 0.00 H new ATOM 1268 N SER A 96 0.467 20.737 5.294 1.00 0.00 N ATOM 1269 CA SER A 96 -0.384 21.335 6.366 1.00 0.00 C ATOM 1270 C SER A 96 -1.503 20.391 6.830 1.00 0.00 C ATOM 1271 O SER A 96 -2.044 20.560 7.905 1.00 0.00 O ATOM 1272 CB SER A 96 -1.009 22.620 5.818 1.00 0.00 C ATOM 1273 OG SER A 96 -1.728 22.183 4.675 1.00 0.00 O ATOM 0 H SER A 96 -0.008 20.555 4.410 1.00 0.00 H new ATOM 0 HA SER A 96 0.250 21.531 7.231 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.667 23.089 6.550 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.248 23.355 5.556 1.00 0.00 H new ATOM 0 HG SER A 96 -2.169 22.950 4.253 1.00 0.00 H new ATOM 1279 N GLY A 97 -1.832 19.420 6.019 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.918 18.474 6.405 1.00 0.00 C ATOM 1281 C GLY A 97 -2.581 17.047 5.965 1.00 0.00 C ATOM 1282 O GLY A 97 -1.699 16.830 5.158 1.00 0.00 O ATOM 0 H GLY A 97 -1.399 19.242 5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -3.063 18.501 7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.857 18.787 5.949 1.00 0.00 H new ATOM 1286 N SER A 98 -3.301 16.104 6.510 1.00 0.00 N ATOM 1287 CA SER A 98 -3.050 14.681 6.143 1.00 0.00 C ATOM 1288 C SER A 98 -4.366 13.949 5.862 1.00 0.00 C ATOM 1289 O SER A 98 -5.434 14.434 6.175 1.00 0.00 O ATOM 1290 CB SER A 98 -2.321 14.001 7.305 1.00 0.00 C ATOM 1291 OG SER A 98 -3.208 14.162 8.402 1.00 0.00 O ATOM 0 H SER A 98 -4.047 16.256 7.189 1.00 0.00 H new ATOM 0 HA SER A 98 -2.443 14.645 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.130 12.948 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.355 14.468 7.499 1.00 0.00 H new ATOM 0 HG SER A 98 -2.818 13.749 9.201 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.244 12.792 5.273 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.464 11.991 4.954 1.00 0.00 C ATOM 1299 C ASP A 99 -5.084 10.527 4.743 1.00 0.00 C ATOM 1300 O ASP A 99 -4.006 10.228 4.272 1.00 0.00 O ATOM 1301 CB ASP A 99 -6.108 12.538 3.677 1.00 0.00 C ATOM 1302 CG ASP A 99 -7.518 11.948 3.552 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -8.335 12.341 4.369 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -7.701 11.141 2.655 1.00 0.00 O ATOM 0 H ASP A 99 -3.358 12.366 4.999 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.168 12.062 5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.155 13.626 3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.508 12.273 2.807 1.00 0.00 H new ATOM 1309 N THR A 100 -6.006 9.648 5.018 1.00 0.00 N ATOM 1310 CA THR A 100 -5.682 8.205 4.866 1.00 0.00 C ATOM 1311 C THR A 100 -6.708 7.427 4.032 1.00 0.00 C ATOM 1312 O THR A 100 -7.895 7.686 4.059 1.00 0.00 O ATOM 1313 CB THR A 100 -5.586 7.602 6.269 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.657 8.441 6.940 1.00 0.00 O ATOM 1315 CG2 THR A 100 -4.888 6.238 6.236 1.00 0.00 C ATOM 0 H THR A 100 -6.952 9.861 5.335 1.00 0.00 H new ATOM 0 HA THR A 100 -4.740 8.126 4.323 1.00 0.00 H new ATOM 0 HB THR A 100 -6.578 7.512 6.711 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.535 8.124 7.859 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.834 5.833 7.246 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.453 5.555 5.601 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.880 6.354 5.837 1.00 0.00 H new ATOM 1323 N THR A 101 -6.172 6.482 3.310 1.00 0.00 N ATOM 1324 CA THR A 101 -6.989 5.589 2.428 1.00 0.00 C ATOM 1325 C THR A 101 -6.846 4.152 2.936 1.00 0.00 C ATOM 1326 O THR A 101 -5.801 3.812 3.449 1.00 0.00 O ATOM 1327 CB THR A 101 -6.409 5.661 1.020 1.00 0.00 C ATOM 1328 OG1 THR A 101 -5.030 5.396 1.225 1.00 0.00 O ATOM 1329 CG2 THR A 101 -6.459 7.093 0.481 1.00 0.00 C ATOM 0 H THR A 101 -5.172 6.283 3.292 1.00 0.00 H new ATOM 0 HA THR A 101 -8.036 5.892 2.431 1.00 0.00 H new ATOM 0 HB THR A 101 -6.940 4.995 0.340 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.501 6.165 0.926 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.040 7.118 -0.525 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.494 7.435 0.451 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.879 7.747 1.132 1.00 0.00 H new ATOM 1337 N TYR A 102 -7.853 3.326 2.778 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.689 1.931 3.293 1.00 0.00 C ATOM 1339 C TYR A 102 -7.920 0.809 2.269 1.00 0.00 C ATOM 1340 O TYR A 102 -9.033 0.427 1.972 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.653 1.753 4.448 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.013 2.306 5.715 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -7.987 3.664 5.935 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.463 1.455 6.648 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -7.414 4.172 7.084 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -6.890 1.960 7.797 1.00 0.00 C ATOM 1347 CZ TYR A 102 -6.862 3.322 8.022 1.00 0.00 C ATOM 1348 OH TYR A 102 -6.288 3.830 9.170 1.00 0.00 O ATOM 0 H TYR A 102 -8.745 3.544 2.334 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.643 1.832 3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.589 2.272 4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.895 0.698 4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.416 4.335 5.206 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.480 0.388 6.480 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.397 5.239 7.250 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.461 1.286 8.524 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.950 3.093 9.720 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.839 0.298 1.752 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.923 -0.826 0.782 1.00 0.00 C ATOM 1360 C PHE A 103 -6.798 -2.119 1.574 1.00 0.00 C ATOM 1361 O PHE A 103 -5.762 -2.393 2.143 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.738 -0.774 -0.184 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.722 0.553 -0.931 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.398 1.724 -0.275 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -6.021 0.586 -2.276 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.375 2.918 -0.959 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -6.000 1.781 -2.963 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.678 2.947 -2.301 1.00 0.00 C ATOM 0 H PHE A 103 -5.892 0.614 1.962 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.859 -0.764 0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.806 -0.900 0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.803 -1.598 -0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.162 1.703 0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.273 -0.328 -2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.119 3.832 -0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.235 1.804 -4.017 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.664 3.885 -2.837 1.00 0.00 H new ATOM 1378 N SER A 104 -7.834 -2.900 1.640 1.00 0.00 N ATOM 1379 CA SER A 104 -7.662 -4.164 2.405 1.00 0.00 C ATOM 1380 C SER A 104 -6.937 -5.112 1.454 1.00 0.00 C ATOM 1381 O SER A 104 -7.462 -5.459 0.419 1.00 0.00 O ATOM 1382 CB SER A 104 -9.037 -4.710 2.777 1.00 0.00 C ATOM 1383 OG SER A 104 -9.573 -3.712 3.633 1.00 0.00 O ATOM 0 H SER A 104 -8.749 -2.734 1.222 1.00 0.00 H new ATOM 0 HA SER A 104 -7.101 -4.030 3.330 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.661 -4.859 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.963 -5.673 3.282 1.00 0.00 H new ATOM 0 HG SER A 104 -10.518 -3.569 3.417 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.742 -5.510 1.790 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.022 -6.412 0.852 1.00 0.00 C ATOM 1391 C VAL A 105 -4.728 -7.717 1.571 1.00 0.00 C ATOM 1392 O VAL A 105 -4.116 -7.736 2.621 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.716 -5.748 0.396 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.109 -6.613 -0.705 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -4.042 -4.369 -0.186 1.00 0.00 C ATOM 0 H VAL A 105 -5.246 -5.260 2.645 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.634 -6.608 -0.029 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.024 -5.645 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.177 -6.164 -1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.908 -7.611 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.807 -6.683 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.122 -3.886 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.715 -4.483 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.521 -3.756 0.577 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.225 -8.780 1.008 1.00 0.00 N ATOM 1406 CA ASN A 106 -4.990 -10.103 1.649 1.00 0.00 C ATOM 1407 C ASN A 106 -4.366 -11.109 0.686 1.00 0.00 C ATOM 1408 O ASN A 106 -4.900 -11.407 -0.362 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.328 -10.638 2.159 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.294 -10.826 0.990 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -7.461 -12.024 0.500 1.00 0.00 O flip ATOM 1412 ND2 ASN A 106 -7.904 -9.890 0.514 1.00 0.00 N flip ATOM 0 H ASN A 106 -5.774 -8.794 0.148 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.286 -9.967 2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.177 -11.587 2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.753 -9.945 2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.776 -8.952 0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.544 -10.042 -0.266 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.210 -11.581 1.062 1.00 0.00 N ATOM 1420 CA VAL A 107 -2.521 -12.585 0.207 1.00 0.00 C ATOM 1421 C VAL A 107 -2.526 -13.972 0.857 1.00 0.00 C ATOM 1422 O VAL A 107 -2.041 -14.161 1.955 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.080 -12.141 -0.002 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -0.431 -11.936 1.368 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -0.343 -13.261 -0.741 1.00 0.00 C ATOM 0 H VAL A 107 -2.717 -11.318 1.915 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.051 -12.652 -0.743 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.037 -11.215 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.603 -11.617 1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.979 -11.172 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.454 -12.872 1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.694 -12.968 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.373 -14.172 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.825 -13.441 -1.702 1.00 0.00 H new ATOM 1435 N SER A 108 -3.100 -14.908 0.156 1.00 0.00 N ATOM 1436 CA SER A 108 -3.139 -16.302 0.680 1.00 0.00 C ATOM 1437 C SER A 108 -3.399 -17.292 -0.454 1.00 0.00 C ATOM 1438 O SER A 108 -3.794 -16.916 -1.540 1.00 0.00 O ATOM 1439 CB SER A 108 -4.259 -16.417 1.716 1.00 0.00 C ATOM 1440 OG SER A 108 -4.207 -17.781 2.116 1.00 0.00 O ATOM 0 H SER A 108 -3.542 -14.770 -0.753 1.00 0.00 H new ATOM 0 HA SER A 108 -2.178 -16.535 1.138 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.096 -15.746 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.228 -16.161 1.288 1.00 0.00 H new ATOM 0 HG SER A 108 -4.898 -17.951 2.790 1.00 0.00 H new