USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 659 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 Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 34 CYS SG : rot -82:sc= 0.468 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -110:sc= 0.638! USER MOD Single : A 62 HIS :FLIP no HD1:sc= -1.33 F(o=-2.7!,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ -117:sc= 0.0521 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0684 X(o=-0.068,f=-0.068) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= -2.88! (180deg=-3.32!) USER MOD Single : A 72 SER OG : rot 163:sc= 0.932 USER MOD Single : A 74 THR OG1 : rot 148:sc= 0.389 USER MOD Single : A 80 SER OG : rot 46:sc= 1.3 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 84 LYS NZ :NH3+ 141:sc= -2.9 (180deg=-7!) USER MOD Single : A 85 ASN : amide:sc= 0.238 K(o=0.24,f=-1.1) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.123) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc=-0.00858 X(o=-0.0086,f=0) USER MOD Single : A 96 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 98 MET CE :methyl -162:sc= 0 (180deg=-0.295) USER MOD Single : A 100 HIS : no HD1:sc= -3.08 K(o=-3.1,f=-4.9!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -82:sc= 1.2 USER MOD Single : A 109 ASN : amide:sc=-0.00361 X(o=-0.0036,f=-0.32) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N HIS A 19 -0.359 -1.241 11.142 1.00 0.00 N ATOM 225 CA HIS A 19 -1.380 -1.323 10.105 1.00 0.00 C ATOM 226 C HIS A 19 -1.831 -2.762 9.870 1.00 0.00 C ATOM 227 O HIS A 19 -2.354 -3.081 8.811 1.00 0.00 O ATOM 228 CB HIS A 19 -0.854 -0.729 8.791 1.00 0.00 C ATOM 229 CG HIS A 19 -0.555 0.737 8.863 1.00 0.00 C ATOM 230 ND1 HIS A 19 0.632 1.256 9.332 1.00 0.00 N ATOM 231 CD2 HIS A 19 -1.317 1.806 8.514 1.00 0.00 C ATOM 232 CE1 HIS A 19 0.557 2.592 9.253 1.00 0.00 C ATOM 233 NE2 HIS A 19 -0.606 2.975 8.762 1.00 0.00 N ATOM 0 HA HIS A 19 -2.240 -0.748 10.448 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.052 -1.261 8.501 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.590 -0.901 8.006 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.317 1.756 8.108 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.346 3.267 9.552 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.919 3.932 8.598 1.00 0.00 H new ATOM 240 N THR A 20 -1.609 -3.632 10.851 1.00 0.00 N ATOM 241 CA THR A 20 -1.984 -5.039 10.720 1.00 0.00 C ATOM 242 C THR A 20 -3.488 -5.258 10.925 1.00 0.00 C ATOM 243 O THR A 20 -4.030 -4.960 11.989 1.00 0.00 O ATOM 244 CB THR A 20 -1.209 -5.906 11.735 1.00 0.00 C ATOM 245 OG1 THR A 20 0.198 -5.726 11.546 1.00 0.00 O ATOM 246 CG2 THR A 20 -1.551 -7.383 11.579 1.00 0.00 C ATOM 0 H THR A 20 -1.174 -3.391 11.741 1.00 0.00 H new ATOM 0 HA THR A 20 -1.728 -5.337 9.703 1.00 0.00 H new ATOM 0 HB THR A 20 -1.497 -5.590 12.737 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.688 -6.276 12.192 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.988 -7.966 12.308 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.619 -7.529 11.744 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.291 -7.712 10.573 1.00 0.00 H new ATOM 254 N LEU A 21 -4.146 -5.795 9.893 1.00 0.00 N ATOM 255 CA LEU A 21 -5.577 -6.090 9.941 1.00 0.00 C ATOM 256 C LEU A 21 -5.914 -7.212 8.957 1.00 0.00 C ATOM 257 O LEU A 21 -5.068 -7.614 8.157 1.00 0.00 O ATOM 258 CB LEU A 21 -6.409 -4.845 9.631 1.00 0.00 C ATOM 259 CG LEU A 21 -7.260 -4.322 10.794 1.00 0.00 C ATOM 260 CD1 LEU A 21 -6.703 -3.007 11.314 1.00 0.00 C ATOM 261 CD2 LEU A 21 -8.710 -4.156 10.360 1.00 0.00 C ATOM 0 H LEU A 21 -3.703 -6.035 9.006 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.824 -6.415 10.952 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.737 -4.050 9.307 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.067 -5.067 8.791 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.225 -5.052 11.603 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.320 -2.651 12.139 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.682 -3.157 11.663 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.707 -2.268 10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.300 -3.784 11.198 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.764 -3.446 9.535 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.106 -5.119 10.037 1.00 0.00 H new ATOM 273 N LEU A 22 -7.146 -7.723 9.030 1.00 0.00 N ATOM 274 CA LEU A 22 -7.586 -8.822 8.163 1.00 0.00 C ATOM 275 C LEU A 22 -7.600 -8.447 6.672 1.00 0.00 C ATOM 276 O LEU A 22 -7.041 -9.169 5.846 1.00 0.00 O ATOM 277 CB LEU A 22 -8.982 -9.291 8.591 1.00 0.00 C ATOM 278 CG LEU A 22 -9.568 -10.447 7.773 1.00 0.00 C ATOM 279 CD1 LEU A 22 -8.709 -11.695 7.913 1.00 0.00 C ATOM 280 CD2 LEU A 22 -10.999 -10.732 8.203 1.00 0.00 C ATOM 0 H LEU A 22 -7.858 -7.393 9.681 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.860 -9.627 8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.940 -9.594 9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.665 -8.444 8.532 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.575 -10.154 6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.143 -12.503 7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.701 -11.485 7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.666 -11.992 8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.399 -11.556 7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.015 -11.002 9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.610 -9.843 8.047 1.00 0.00 H new ATOM 292 N PHE A 23 -8.226 -7.320 6.325 1.00 0.00 N ATOM 293 CA PHE A 23 -8.299 -6.894 4.921 1.00 0.00 C ATOM 294 C PHE A 23 -7.135 -5.982 4.558 1.00 0.00 C ATOM 295 O PHE A 23 -6.634 -5.999 3.433 1.00 0.00 O ATOM 296 CB PHE A 23 -9.625 -6.181 4.637 1.00 0.00 C ATOM 297 CG PHE A 23 -10.834 -7.061 4.805 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.547 -7.064 5.994 1.00 0.00 C ATOM 299 CD2 PHE A 23 -11.254 -7.884 3.774 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.657 -7.871 6.149 1.00 0.00 C ATOM 301 CE2 PHE A 23 -12.365 -8.694 3.924 1.00 0.00 C ATOM 302 CZ PHE A 23 -13.067 -8.688 5.114 1.00 0.00 C ATOM 0 H PHE A 23 -8.685 -6.692 6.985 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.240 -7.791 4.305 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.716 -5.323 5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.608 -5.793 3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.231 -6.428 6.808 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.708 -7.894 2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.204 -7.863 7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.683 -9.331 3.112 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.934 -9.321 5.234 1.00 0.00 H new ATOM 312 N ASP A 24 -6.727 -5.172 5.520 1.00 0.00 N ATOM 313 CA ASP A 24 -5.613 -4.256 5.346 1.00 0.00 C ATOM 314 C ASP A 24 -4.386 -4.798 6.049 1.00 0.00 C ATOM 315 O ASP A 24 -4.021 -4.321 7.117 1.00 0.00 O ATOM 316 CB ASP A 24 -5.912 -2.816 5.808 1.00 0.00 C ATOM 317 CG ASP A 24 -6.732 -2.723 7.082 1.00 0.00 C ATOM 318 OD1 ASP A 24 -7.805 -3.366 7.157 1.00 0.00 O ATOM 319 OD2 ASP A 24 -6.306 -2.001 8.006 1.00 0.00 O ATOM 0 H ASP A 24 -7.159 -5.131 6.443 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.430 -4.190 4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.968 -2.293 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.442 -2.294 5.011 1.00 0.00 H new ATOM 324 N LEU A 25 -3.815 -5.860 5.473 1.00 0.00 N ATOM 325 CA LEU A 25 -2.617 -6.515 6.006 1.00 0.00 C ATOM 326 C LEU A 25 -1.547 -5.498 6.428 1.00 0.00 C ATOM 327 O LEU A 25 -1.545 -4.362 5.948 1.00 0.00 O ATOM 328 CB LEU A 25 -2.042 -7.468 4.951 1.00 0.00 C ATOM 329 CG LEU A 25 -2.874 -8.729 4.698 1.00 0.00 C ATOM 330 CD1 LEU A 25 -2.283 -9.537 3.556 1.00 0.00 C ATOM 331 CD2 LEU A 25 -2.973 -9.572 5.960 1.00 0.00 C ATOM 0 H LEU A 25 -4.172 -6.291 4.620 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.908 -7.074 6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.937 -6.925 4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.041 -7.767 5.260 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.881 -8.423 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.887 -10.429 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.273 -8.932 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.264 -9.831 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.568 -10.462 5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.974 -9.868 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.448 -8.990 6.750 1.00 0.00 H new ATOM 343 N PRO A 26 -0.634 -5.907 7.346 1.00 0.00 N ATOM 344 CA PRO A 26 0.452 -5.068 7.893 1.00 0.00 C ATOM 345 C PRO A 26 1.125 -4.147 6.864 1.00 0.00 C ATOM 346 O PRO A 26 1.012 -4.350 5.652 1.00 0.00 O ATOM 347 CB PRO A 26 1.469 -6.100 8.422 1.00 0.00 C ATOM 348 CG PRO A 26 0.880 -7.450 8.159 1.00 0.00 C ATOM 349 CD PRO A 26 -0.589 -7.243 7.948 1.00 0.00 C ATOM 0 HA PRO A 26 0.062 -4.381 8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.430 -5.991 7.919 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.649 -5.956 9.487 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.337 -7.908 7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.060 -8.121 8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.016 -8.000 7.290 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.144 -7.286 8.885 1.00 0.00 H new ATOM 357 N PRO A 27 1.893 -3.141 7.355 1.00 0.00 N ATOM 358 CA PRO A 27 2.581 -2.159 6.512 1.00 0.00 C ATOM 359 C PRO A 27 3.487 -2.777 5.456 1.00 0.00 C ATOM 360 O PRO A 27 4.021 -2.069 4.614 1.00 0.00 O ATOM 361 CB PRO A 27 3.405 -1.308 7.477 1.00 0.00 C ATOM 362 CG PRO A 27 3.381 -2.027 8.771 1.00 0.00 C ATOM 363 CD PRO A 27 2.145 -2.882 8.776 1.00 0.00 C ATOM 0 HA PRO A 27 1.847 -1.586 5.946 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.426 -1.186 7.116 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.981 -0.309 7.577 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.275 -2.640 8.888 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.366 -1.323 9.603 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.301 -3.808 9.330 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.305 -2.368 9.244 1.00 0.00 H new ATOM 371 N ALA A 28 3.676 -4.088 5.515 1.00 0.00 N ATOM 372 CA ALA A 28 4.499 -4.782 4.541 1.00 0.00 C ATOM 373 C ALA A 28 3.986 -4.488 3.133 1.00 0.00 C ATOM 374 O ALA A 28 4.769 -4.377 2.192 1.00 0.00 O ATOM 375 CB ALA A 28 4.486 -6.277 4.814 1.00 0.00 C ATOM 0 H ALA A 28 3.269 -4.691 6.230 1.00 0.00 H new ATOM 0 HA ALA A 28 5.527 -4.429 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.107 -6.787 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.878 -6.468 5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.464 -6.650 4.748 1.00 0.00 H new ATOM 381 N LEU A 29 2.664 -4.364 2.992 1.00 0.00 N ATOM 382 CA LEU A 29 2.083 -4.054 1.692 1.00 0.00 C ATOM 383 C LEU A 29 1.598 -2.602 1.610 1.00 0.00 C ATOM 384 O LEU A 29 2.277 -1.750 1.050 1.00 0.00 O ATOM 385 CB LEU A 29 0.922 -4.998 1.360 1.00 0.00 C ATOM 386 CG LEU A 29 0.982 -5.607 -0.034 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.364 -6.178 -0.299 1.00 0.00 C ATOM 388 CD2 LEU A 29 -0.084 -6.674 -0.197 1.00 0.00 C ATOM 0 H LEU A 29 1.990 -4.472 3.750 1.00 0.00 H new ATOM 0 HA LEU A 29 2.878 -4.194 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.904 -5.804 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.015 -4.451 1.464 1.00 0.00 H new ATOM 0 HG LEU A 29 0.788 -4.823 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.393 -6.610 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.106 -5.383 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.586 -6.951 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.025 -7.097 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.074 -7.462 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.068 -6.231 -0.048 1.00 0.00 H new ATOM 400 N LEU A 30 0.435 -2.318 2.198 1.00 0.00 N ATOM 401 CA LEU A 30 -0.161 -0.977 2.146 1.00 0.00 C ATOM 402 C LEU A 30 0.698 0.090 2.832 1.00 0.00 C ATOM 403 O LEU A 30 0.920 1.156 2.267 1.00 0.00 O ATOM 404 CB LEU A 30 -1.562 -0.988 2.782 1.00 0.00 C ATOM 405 CG LEU A 30 -2.311 0.348 2.759 1.00 0.00 C ATOM 406 CD1 LEU A 30 -2.573 0.800 1.331 1.00 0.00 C ATOM 407 CD2 LEU A 30 -3.619 0.238 3.532 1.00 0.00 C ATOM 0 H LEU A 30 -0.117 -3.000 2.718 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.227 -0.713 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.169 -1.733 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.468 -1.314 3.818 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.683 1.097 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.106 1.751 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.624 0.922 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.177 0.052 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.139 1.196 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.247 -0.528 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.408 -0.032 4.567 1.00 0.00 H new ATOM 419 N GLY A 31 1.197 -0.207 4.029 1.00 0.00 N ATOM 420 CA GLY A 31 1.979 0.776 4.774 1.00 0.00 C ATOM 421 C GLY A 31 3.239 1.256 4.069 1.00 0.00 C ATOM 422 O GLY A 31 3.431 2.456 3.880 1.00 0.00 O ATOM 0 H GLY A 31 1.077 -1.105 4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.347 1.638 4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.259 0.344 5.735 1.00 0.00 H new ATOM 426 N GLU A 32 4.086 0.321 3.671 1.00 0.00 N ATOM 427 CA GLU A 32 5.340 0.649 3.006 1.00 0.00 C ATOM 428 C GLU A 32 5.149 1.126 1.569 1.00 0.00 C ATOM 429 O GLU A 32 5.787 2.090 1.151 1.00 0.00 O ATOM 430 CB GLU A 32 6.282 -0.558 3.058 1.00 0.00 C ATOM 431 CG GLU A 32 7.707 -0.251 2.617 1.00 0.00 C ATOM 432 CD GLU A 32 7.926 -0.459 1.133 1.00 0.00 C ATOM 433 OE1 GLU A 32 7.195 -1.275 0.532 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.828 0.192 0.570 1.00 0.00 O ATOM 0 H GLU A 32 3.928 -0.679 3.797 1.00 0.00 H new ATOM 0 HA GLU A 32 5.783 1.486 3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.303 -0.946 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.879 -1.348 2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.946 0.781 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.398 -0.885 3.173 1.00 0.00 H new ATOM 441 N LEU A 33 4.278 0.467 0.814 1.00 0.00 N ATOM 442 CA LEU A 33 4.075 0.838 -0.585 1.00 0.00 C ATOM 443 C LEU A 33 3.419 2.212 -0.748 1.00 0.00 C ATOM 444 O LEU A 33 3.759 2.946 -1.671 1.00 0.00 O ATOM 445 CB LEU A 33 3.284 -0.232 -1.346 1.00 0.00 C ATOM 446 CG LEU A 33 3.978 -1.592 -1.462 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.087 -2.590 -2.188 1.00 0.00 C ATOM 448 CD2 LEU A 33 5.319 -1.458 -2.168 1.00 0.00 C ATOM 0 H LEU A 33 3.708 -0.315 1.138 1.00 0.00 H new ATOM 0 HA LEU A 33 5.071 0.905 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.323 -0.373 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.074 0.138 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 33 4.161 -1.965 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.599 -3.550 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.156 -2.716 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.867 -2.220 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.793 -2.437 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.164 -1.057 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.962 -0.784 -1.603 1.00 0.00 H new ATOM 460 N CYS A 34 2.471 2.564 0.117 1.00 0.00 N ATOM 461 CA CYS A 34 1.815 3.867 -0.008 1.00 0.00 C ATOM 462 C CYS A 34 2.680 4.998 0.556 1.00 0.00 C ATOM 463 O CYS A 34 2.637 6.120 0.058 1.00 0.00 O ATOM 464 CB CYS A 34 0.442 3.872 0.675 1.00 0.00 C ATOM 465 SG CYS A 34 0.495 3.978 2.480 1.00 0.00 S ATOM 0 H CYS A 34 2.145 1.986 0.892 1.00 0.00 H new ATOM 0 HA CYS A 34 1.676 4.043 -1.075 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.136 4.713 0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.092 2.964 0.394 1.00 0.00 H new ATOM 0 HG CYS A 34 0.716 2.797 2.978 1.00 0.00 H new ATOM 471 N ALA A 35 3.467 4.707 1.593 1.00 0.00 N ATOM 472 CA ALA A 35 4.310 5.730 2.213 1.00 0.00 C ATOM 473 C ALA A 35 5.659 5.905 1.512 1.00 0.00 C ATOM 474 O ALA A 35 6.008 7.011 1.099 1.00 0.00 O ATOM 475 CB ALA A 35 4.526 5.410 3.686 1.00 0.00 C ATOM 0 H ALA A 35 3.538 3.782 2.017 1.00 0.00 H new ATOM 0 HA ALA A 35 3.778 6.676 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.155 6.178 4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.564 5.383 4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.014 4.440 3.780 1.00 0.00 H new ATOM 481 N VAL A 36 6.413 4.816 1.384 1.00 0.00 N ATOM 482 CA VAL A 36 7.738 4.861 0.768 1.00 0.00 C ATOM 483 C VAL A 36 7.683 5.240 -0.716 1.00 0.00 C ATOM 484 O VAL A 36 8.467 6.077 -1.172 1.00 0.00 O ATOM 485 CB VAL A 36 8.492 3.520 0.953 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.776 3.487 0.134 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.800 3.294 2.427 1.00 0.00 C ATOM 0 H VAL A 36 6.129 3.889 1.699 1.00 0.00 H new ATOM 0 HA VAL A 36 8.289 5.646 1.285 1.00 0.00 H new ATOM 0 HB VAL A 36 7.847 2.718 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.280 2.533 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.537 3.606 -0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.431 4.298 0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.330 2.349 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.422 4.109 2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.869 3.262 2.993 1.00 0.00 H new ATOM 497 N LEU A 37 6.756 4.650 -1.471 1.00 0.00 N ATOM 498 CA LEU A 37 6.651 4.954 -2.899 1.00 0.00 C ATOM 499 C LEU A 37 6.069 6.348 -3.127 1.00 0.00 C ATOM 500 O LEU A 37 6.207 6.913 -4.205 1.00 0.00 O ATOM 501 CB LEU A 37 5.823 3.913 -3.655 1.00 0.00 C ATOM 502 CG LEU A 37 6.354 2.478 -3.602 1.00 0.00 C ATOM 503 CD1 LEU A 37 5.470 1.564 -4.425 1.00 0.00 C ATOM 504 CD2 LEU A 37 7.792 2.417 -4.095 1.00 0.00 C ATOM 0 H LEU A 37 6.078 3.971 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 37 7.666 4.925 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.809 3.921 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.755 4.218 -4.699 1.00 0.00 H new ATOM 0 HG LEU A 37 6.337 2.141 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.857 0.546 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.455 1.584 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.460 1.903 -5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.149 1.388 -4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.839 2.771 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.420 3.048 -3.465 1.00 0.00 H new ATOM 516 N ASP A 38 5.399 6.894 -2.116 1.00 0.00 N ATOM 517 CA ASP A 38 4.814 8.230 -2.218 1.00 0.00 C ATOM 518 C ASP A 38 5.895 9.278 -2.482 1.00 0.00 C ATOM 519 O ASP A 38 5.677 10.238 -3.220 1.00 0.00 O ATOM 520 CB ASP A 38 4.052 8.586 -0.942 1.00 0.00 C ATOM 521 CG ASP A 38 3.214 9.838 -1.096 1.00 0.00 C ATOM 522 OD1 ASP A 38 2.749 10.105 -2.223 1.00 0.00 O ATOM 523 OD2 ASP A 38 3.022 10.551 -0.090 1.00 0.00 O ATOM 0 H ASP A 38 5.247 6.434 -1.218 1.00 0.00 H new ATOM 0 HA ASP A 38 4.117 8.225 -3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.407 7.753 -0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.761 8.726 -0.126 1.00 0.00 H new ATOM 528 N SER A 39 7.058 9.084 -1.870 1.00 0.00 N ATOM 529 CA SER A 39 8.179 10.007 -2.030 1.00 0.00 C ATOM 530 C SER A 39 9.009 9.657 -3.268 1.00 0.00 C ATOM 531 O SER A 39 10.057 10.256 -3.512 1.00 0.00 O ATOM 532 CB SER A 39 9.066 9.980 -0.785 1.00 0.00 C ATOM 533 OG SER A 39 8.343 10.388 0.366 1.00 0.00 O ATOM 0 H SER A 39 7.251 8.293 -1.256 1.00 0.00 H new ATOM 0 HA SER A 39 7.774 11.010 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.457 8.974 -0.635 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.924 10.637 -0.931 1.00 0.00 H new ATOM 0 HG SER A 39 8.932 10.360 1.149 1.00 0.00 H new ATOM 539 N CYS A 40 8.536 8.676 -4.034 1.00 0.00 N ATOM 540 CA CYS A 40 9.222 8.233 -5.242 1.00 0.00 C ATOM 541 C CYS A 40 9.247 9.324 -6.306 1.00 0.00 C ATOM 542 O CYS A 40 8.278 10.061 -6.489 1.00 0.00 O ATOM 543 CB CYS A 40 8.559 6.980 -5.810 1.00 0.00 C ATOM 544 SG CYS A 40 9.364 6.327 -7.282 1.00 0.00 S ATOM 0 H CYS A 40 7.673 8.170 -3.835 1.00 0.00 H new ATOM 0 HA CYS A 40 10.250 8.003 -4.962 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.548 6.207 -5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.520 7.208 -6.048 1.00 0.00 H new ATOM 0 HG CYS A 40 8.598 6.516 -8.315 1.00 0.00 H new ATOM 550 N ASP A 41 10.364 9.407 -7.011 1.00 0.00 N ATOM 551 CA ASP A 41 10.547 10.404 -8.056 1.00 0.00 C ATOM 552 C ASP A 41 11.043 9.733 -9.332 1.00 0.00 C ATOM 553 O ASP A 41 11.961 10.215 -9.992 1.00 0.00 O ATOM 554 CB ASP A 41 11.534 11.482 -7.604 1.00 0.00 C ATOM 555 CG ASP A 41 11.380 12.775 -8.381 1.00 0.00 C ATOM 556 OD1 ASP A 41 10.315 12.971 -9.005 1.00 0.00 O ATOM 557 OD2 ASP A 41 12.324 13.593 -8.362 1.00 0.00 O ATOM 0 H ASP A 41 11.165 8.790 -6.877 1.00 0.00 H new ATOM 0 HA ASP A 41 9.588 10.881 -8.256 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.388 11.681 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.552 11.110 -7.722 1.00 0.00 H new ATOM 562 N GLY A 42 10.431 8.599 -9.656 1.00 0.00 N ATOM 563 CA GLY A 42 10.802 7.857 -10.848 1.00 0.00 C ATOM 564 C GLY A 42 11.824 6.765 -10.585 1.00 0.00 C ATOM 565 O GLY A 42 12.057 5.919 -11.444 1.00 0.00 O ATOM 0 H GLY A 42 9.679 8.178 -9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.907 7.410 -11.282 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.203 8.550 -11.588 1.00 0.00 H new ATOM 569 N ALA A 43 12.438 6.781 -9.399 1.00 0.00 N ATOM 570 CA ALA A 43 13.434 5.768 -9.040 1.00 0.00 C ATOM 571 C ALA A 43 12.813 4.372 -8.979 1.00 0.00 C ATOM 572 O ALA A 43 13.393 3.401 -9.463 1.00 0.00 O ATOM 573 CB ALA A 43 14.087 6.116 -7.710 1.00 0.00 C ATOM 0 H ALA A 43 12.265 7.479 -8.676 1.00 0.00 H new ATOM 0 HA ALA A 43 14.198 5.760 -9.818 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.825 5.354 -7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.579 7.086 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.326 6.158 -6.931 1.00 0.00 H new ATOM 579 N LEU A 44 11.629 4.285 -8.377 1.00 0.00 N ATOM 580 CA LEU A 44 10.906 3.017 -8.277 1.00 0.00 C ATOM 581 C LEU A 44 9.653 3.073 -9.139 1.00 0.00 C ATOM 582 O LEU A 44 9.129 2.047 -9.567 1.00 0.00 O ATOM 583 CB LEU A 44 10.504 2.696 -6.819 1.00 0.00 C ATOM 584 CG LEU A 44 11.656 2.564 -5.803 1.00 0.00 C ATOM 585 CD1 LEU A 44 12.880 1.918 -6.438 1.00 0.00 C ATOM 586 CD2 LEU A 44 12.009 3.920 -5.207 1.00 0.00 C ATOM 0 H LEU A 44 11.149 5.077 -7.950 1.00 0.00 H new ATOM 0 HA LEU A 44 11.573 2.229 -8.626 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.829 3.478 -6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.939 1.764 -6.818 1.00 0.00 H new ATOM 0 HG LEU A 44 11.316 1.914 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.675 1.839 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.620 0.923 -6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.222 2.529 -7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.824 3.803 -4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.318 4.598 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.137 4.332 -4.698 1.00 0.00 H new ATOM 598 N GLY A 45 9.193 4.294 -9.393 1.00 0.00 N ATOM 599 CA GLY A 45 7.996 4.500 -10.178 1.00 0.00 C ATOM 600 C GLY A 45 6.741 4.252 -9.364 1.00 0.00 C ATOM 601 O GLY A 45 6.462 3.112 -8.999 1.00 0.00 O ATOM 0 H GLY A 45 9.636 5.152 -9.063 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.984 5.520 -10.563 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.008 3.834 -11.041 1.00 0.00 H new ATOM 605 N TRP A 46 5.992 5.314 -9.053 1.00 0.00 N ATOM 606 CA TRP A 46 4.746 5.163 -8.290 1.00 0.00 C ATOM 607 C TRP A 46 3.831 4.124 -8.948 1.00 0.00 C ATOM 608 O TRP A 46 3.305 3.232 -8.282 1.00 0.00 O ATOM 609 CB TRP A 46 4.021 6.512 -8.147 1.00 0.00 C ATOM 610 CG TRP A 46 4.071 7.383 -9.371 1.00 0.00 C ATOM 611 CD1 TRP A 46 3.206 7.370 -10.428 1.00 0.00 C ATOM 612 CD2 TRP A 46 5.027 8.413 -9.649 1.00 0.00 C ATOM 613 NE1 TRP A 46 3.574 8.318 -11.351 1.00 0.00 N ATOM 614 CE2 TRP A 46 4.688 8.973 -10.896 1.00 0.00 C ATOM 615 CE3 TRP A 46 6.139 8.914 -8.968 1.00 0.00 C ATOM 616 CZ2 TRP A 46 5.420 10.008 -11.473 1.00 0.00 C ATOM 617 CZ3 TRP A 46 6.864 9.942 -9.540 1.00 0.00 C ATOM 618 CH2 TRP A 46 6.502 10.479 -10.781 1.00 0.00 C ATOM 0 H TRP A 46 6.220 6.274 -9.312 1.00 0.00 H new ATOM 0 HA TRP A 46 5.003 4.810 -7.291 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.978 6.324 -7.894 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.458 7.058 -7.311 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.356 6.710 -10.524 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.096 8.504 -12.232 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.427 8.505 -8.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.144 10.423 -12.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.724 10.338 -9.021 1.00 0.00 H new ATOM 0 HH2 TRP A 46 7.089 11.282 -11.201 1.00 0.00 H new ATOM 629 N ARG A 47 3.638 4.255 -10.259 1.00 0.00 N ATOM 630 CA ARG A 47 2.831 3.307 -11.028 1.00 0.00 C ATOM 631 C ARG A 47 3.644 2.084 -11.441 1.00 0.00 C ATOM 632 O ARG A 47 3.129 1.215 -12.117 1.00 0.00 O ATOM 633 CB ARG A 47 2.217 3.958 -12.273 1.00 0.00 C ATOM 634 CG ARG A 47 3.239 4.541 -13.236 1.00 0.00 C ATOM 635 CD ARG A 47 2.571 5.370 -14.323 1.00 0.00 C ATOM 636 NE ARG A 47 3.547 6.021 -15.198 1.00 0.00 N ATOM 637 CZ ARG A 47 4.089 5.444 -16.267 1.00 0.00 C ATOM 638 NH1 ARG A 47 4.967 6.111 -17.006 1.00 0.00 N ATOM 639 NH2 ARG A 47 3.756 4.204 -16.598 1.00 0.00 N ATOM 0 H ARG A 47 4.032 5.014 -10.815 1.00 0.00 H new ATOM 0 HA ARG A 47 2.023 2.987 -10.370 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.619 3.215 -12.801 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.537 4.750 -11.958 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.946 5.162 -12.686 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.812 3.734 -13.693 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.921 4.729 -14.919 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.936 6.127 -13.862 1.00 0.00 H new ATOM 0 HE ARG A 47 3.829 6.975 -14.974 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.225 7.065 -16.754 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.383 5.670 -17.826 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.082 3.689 -16.032 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.174 3.765 -17.419 1.00 0.00 H new ATOM 653 N GLY A 48 4.912 2.025 -11.046 1.00 0.00 N ATOM 654 CA GLY A 48 5.762 0.909 -11.438 1.00 0.00 C ATOM 655 C GLY A 48 5.212 -0.436 -11.009 1.00 0.00 C ATOM 656 O GLY A 48 5.238 -1.392 -11.784 1.00 0.00 O ATOM 0 H GLY A 48 5.368 2.727 -10.463 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.884 0.916 -12.521 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.753 1.045 -11.004 1.00 0.00 H new ATOM 660 N LEU A 49 4.715 -0.520 -9.785 1.00 0.00 N ATOM 661 CA LEU A 49 4.147 -1.769 -9.297 1.00 0.00 C ATOM 662 C LEU A 49 2.719 -1.960 -9.807 1.00 0.00 C ATOM 663 O LEU A 49 2.333 -3.062 -10.198 1.00 0.00 O ATOM 664 CB LEU A 49 4.174 -1.806 -7.768 1.00 0.00 C ATOM 665 CG LEU A 49 5.570 -1.716 -7.141 1.00 0.00 C ATOM 666 CD1 LEU A 49 5.469 -1.729 -5.630 1.00 0.00 C ATOM 667 CD2 LEU A 49 6.449 -2.860 -7.623 1.00 0.00 C ATOM 0 H LEU A 49 4.692 0.251 -9.118 1.00 0.00 H new ATOM 0 HA LEU A 49 4.756 -2.588 -9.679 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.569 -0.983 -7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.701 -2.729 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 49 6.028 -0.777 -7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.468 -1.665 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.874 -0.878 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.992 -2.654 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.435 -2.778 -7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.996 -3.811 -7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.546 -2.812 -8.708 1.00 0.00 H new ATOM 679 N ALA A 50 1.938 -0.878 -9.801 1.00 0.00 N ATOM 680 CA ALA A 50 0.549 -0.923 -10.261 1.00 0.00 C ATOM 681 C ALA A 50 0.425 -1.270 -11.741 1.00 0.00 C ATOM 682 O ALA A 50 -0.443 -2.052 -12.130 1.00 0.00 O ATOM 683 CB ALA A 50 -0.131 0.408 -10.003 1.00 0.00 C ATOM 0 H ALA A 50 2.244 0.041 -9.482 1.00 0.00 H new ATOM 0 HA ALA A 50 0.061 -1.716 -9.695 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.163 0.362 -10.349 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.116 0.623 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.397 1.196 -10.539 1.00 0.00 H new ATOM 689 N GLU A 51 1.302 -0.687 -12.555 1.00 0.00 N ATOM 690 CA GLU A 51 1.286 -0.894 -13.997 1.00 0.00 C ATOM 691 C GLU A 51 1.484 -2.370 -14.349 1.00 0.00 C ATOM 692 O GLU A 51 0.773 -2.916 -15.194 1.00 0.00 O ATOM 693 CB GLU A 51 2.383 -0.047 -14.660 1.00 0.00 C ATOM 694 CG GLU A 51 2.425 -0.173 -16.177 1.00 0.00 C ATOM 695 CD GLU A 51 3.514 0.674 -16.808 1.00 0.00 C ATOM 696 OE1 GLU A 51 4.262 1.338 -16.058 1.00 0.00 O ATOM 697 OE2 GLU A 51 3.618 0.679 -18.052 1.00 0.00 O ATOM 0 H GLU A 51 2.040 -0.061 -12.233 1.00 0.00 H new ATOM 0 HA GLU A 51 0.310 -0.584 -14.372 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.230 0.999 -14.396 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.351 -0.340 -14.254 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.582 -1.218 -16.446 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.459 0.120 -16.588 1.00 0.00 H new ATOM 704 N ARG A 52 2.466 -3.002 -13.706 1.00 0.00 N ATOM 705 CA ARG A 52 2.755 -4.417 -13.939 1.00 0.00 C ATOM 706 C ARG A 52 1.630 -5.319 -13.438 1.00 0.00 C ATOM 707 O ARG A 52 1.301 -6.319 -14.073 1.00 0.00 O ATOM 708 CB ARG A 52 4.074 -4.820 -13.273 1.00 0.00 C ATOM 709 CG ARG A 52 5.312 -4.265 -13.959 1.00 0.00 C ATOM 710 CD ARG A 52 6.576 -4.604 -13.183 1.00 0.00 C ATOM 711 NE ARG A 52 7.788 -4.196 -13.893 1.00 0.00 N ATOM 712 CZ ARG A 52 8.281 -2.959 -13.877 1.00 0.00 C ATOM 713 NH1 ARG A 52 9.399 -2.685 -14.535 1.00 0.00 N ATOM 714 NH2 ARG A 52 7.658 -1.998 -13.206 1.00 0.00 N ATOM 0 H ARG A 52 3.075 -2.556 -13.020 1.00 0.00 H new ATOM 0 HA ARG A 52 2.841 -4.549 -15.018 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.064 -4.481 -12.237 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.140 -5.908 -13.252 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.383 -4.671 -14.968 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.222 -3.183 -14.056 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.545 -4.114 -12.210 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.610 -5.678 -12.998 1.00 0.00 H new ATOM 0 HE ARG A 52 8.286 -4.903 -14.434 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.880 -3.421 -15.052 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.778 -1.738 -14.524 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.797 -2.205 -12.699 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.040 -1.052 -13.197 1.00 0.00 H new ATOM 851 N ASP A 61 -4.458 8.252 -15.216 1.00 0.00 N ATOM 852 CA ASP A 61 -5.096 9.544 -14.983 1.00 0.00 C ATOM 853 C ASP A 61 -5.327 9.775 -13.495 1.00 0.00 C ATOM 854 O ASP A 61 -5.000 10.837 -12.968 1.00 0.00 O ATOM 855 CB ASP A 61 -6.423 9.630 -15.742 1.00 0.00 C ATOM 856 CG ASP A 61 -7.102 10.976 -15.585 1.00 0.00 C ATOM 857 OD1 ASP A 61 -6.528 11.987 -16.040 1.00 0.00 O ATOM 858 OD2 ASP A 61 -8.214 11.015 -15.015 1.00 0.00 O ATOM 0 HA ASP A 61 -4.428 10.322 -15.352 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.244 9.439 -16.800 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.092 8.847 -15.385 1.00 0.00 H new ATOM 863 N HIS A 62 -5.883 8.774 -12.819 1.00 0.00 N ATOM 864 CA HIS A 62 -6.132 8.892 -11.393 1.00 0.00 C ATOM 865 C HIS A 62 -4.853 8.675 -10.582 1.00 0.00 C ATOM 866 O HIS A 62 -4.773 9.095 -9.426 1.00 0.00 O ATOM 867 CB HIS A 62 -7.241 7.934 -10.938 1.00 0.00 C ATOM 868 CG HIS A 62 -6.958 6.476 -11.139 1.00 0.00 C ATOM 869 ND1 HIS A 62 -6.097 5.658 -10.483 1.00 0.00 N flip ATOM 870 CD2 HIS A 62 -7.599 5.688 -12.069 1.00 0.00 C flip ATOM 871 CE1 HIS A 62 -6.208 4.370 -10.998 1.00 0.00 C flip ATOM 872 NE2 HIS A 62 -7.123 4.441 -11.945 1.00 0.00 N flip ATOM 0 H HIS A 62 -6.165 7.885 -13.232 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.474 9.910 -11.207 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.434 8.106 -9.879 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.156 8.186 -11.473 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.350 6.016 -12.772 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -5.659 3.494 -10.687 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -7.429 3.649 -12.510 1.00 0.00 H new ATOM 879 N ILE A 63 -3.854 8.028 -11.191 1.00 0.00 N ATOM 880 CA ILE A 63 -2.573 7.788 -10.527 1.00 0.00 C ATOM 881 C ILE A 63 -1.898 9.119 -10.192 1.00 0.00 C ATOM 882 O ILE A 63 -1.320 9.294 -9.120 1.00 0.00 O ATOM 883 CB ILE A 63 -1.633 6.895 -11.374 1.00 0.00 C ATOM 884 CG1 ILE A 63 -2.168 5.459 -11.409 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.211 6.915 -10.827 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.474 4.572 -12.421 1.00 0.00 C ATOM 0 H ILE A 63 -3.910 7.662 -12.142 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.777 7.247 -9.603 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.607 7.294 -12.388 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.060 5.017 -10.418 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.234 5.484 -11.633 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.425 6.279 -11.443 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.171 7.936 -10.845 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.210 6.545 -9.802 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.907 3.572 -12.386 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.603 4.989 -13.420 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.411 4.515 -12.186 1.00 0.00 H new ATOM 898 N GLU A 64 -1.955 10.049 -11.130 1.00 0.00 N ATOM 899 CA GLU A 64 -1.386 11.372 -10.926 1.00 0.00 C ATOM 900 C GLU A 64 -2.201 12.161 -9.893 1.00 0.00 C ATOM 901 O GLU A 64 -1.660 12.974 -9.149 1.00 0.00 O ATOM 902 CB GLU A 64 -1.333 12.139 -12.250 1.00 0.00 C ATOM 903 CG GLU A 64 -0.353 11.555 -13.261 1.00 0.00 C ATOM 904 CD GLU A 64 1.073 11.514 -12.746 1.00 0.00 C ATOM 905 OE1 GLU A 64 1.549 12.547 -12.229 1.00 0.00 O ATOM 906 OE2 GLU A 64 1.716 10.448 -12.863 1.00 0.00 O ATOM 0 H GLU A 64 -2.390 9.913 -12.042 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.371 11.251 -10.547 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.330 12.153 -12.691 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.059 13.174 -12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.668 10.545 -13.523 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.387 12.147 -14.176 1.00 0.00 H new ATOM 913 N LYS A 65 -3.511 11.922 -9.877 1.00 0.00 N ATOM 914 CA LYS A 65 -4.424 12.628 -8.971 1.00 0.00 C ATOM 915 C LYS A 65 -4.160 12.383 -7.476 1.00 0.00 C ATOM 916 O LYS A 65 -4.095 13.338 -6.702 1.00 0.00 O ATOM 917 CB LYS A 65 -5.864 12.231 -9.301 1.00 0.00 C ATOM 918 CG LYS A 65 -6.354 12.777 -10.634 1.00 0.00 C ATOM 919 CD LYS A 65 -7.775 12.330 -10.938 1.00 0.00 C ATOM 920 CE LYS A 65 -8.260 12.897 -12.264 1.00 0.00 C ATOM 921 NZ LYS A 65 -9.643 12.450 -12.588 1.00 0.00 N ATOM 0 H LYS A 65 -3.969 11.242 -10.484 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.250 13.691 -9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.939 11.144 -9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.521 12.587 -8.508 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.311 13.866 -10.619 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.689 12.443 -11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.818 11.241 -10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.440 12.653 -10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.230 13.986 -12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.583 12.588 -13.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.629 11.881 -13.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.014 11.875 -11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.253 13.281 -12.727 1.00 0.00 H new ATOM 935 N GLU A 66 -4.000 11.124 -7.053 1.00 0.00 N ATOM 936 CA GLU A 66 -3.778 10.847 -5.623 1.00 0.00 C ATOM 937 C GLU A 66 -2.297 10.852 -5.243 1.00 0.00 C ATOM 938 O GLU A 66 -1.972 10.698 -4.069 1.00 0.00 O ATOM 939 CB GLU A 66 -4.426 9.527 -5.165 1.00 0.00 C ATOM 940 CG GLU A 66 -5.888 9.378 -5.572 1.00 0.00 C ATOM 941 CD GLU A 66 -6.779 10.464 -4.999 1.00 0.00 C ATOM 942 OE1 GLU A 66 -6.540 10.888 -3.851 1.00 0.00 O ATOM 943 OE2 GLU A 66 -7.717 10.892 -5.705 1.00 0.00 O ATOM 0 H GLU A 66 -4.018 10.301 -7.656 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.268 11.668 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.858 8.693 -5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.353 9.456 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.960 9.394 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.253 8.405 -5.243 1.00 0.00 H new ATOM 950 N VAL A 67 -1.397 11.008 -6.217 1.00 0.00 N ATOM 951 CA VAL A 67 0.041 11.008 -5.919 1.00 0.00 C ATOM 952 C VAL A 67 0.396 12.099 -4.896 1.00 0.00 C ATOM 953 O VAL A 67 1.290 11.918 -4.072 1.00 0.00 O ATOM 954 CB VAL A 67 0.907 11.159 -7.200 1.00 0.00 C ATOM 955 CG1 VAL A 67 0.943 12.597 -7.701 1.00 0.00 C ATOM 956 CG2 VAL A 67 2.317 10.639 -6.957 1.00 0.00 C ATOM 0 H VAL A 67 -1.630 11.134 -7.202 1.00 0.00 H new ATOM 0 HA VAL A 67 0.271 10.036 -5.483 1.00 0.00 H new ATOM 0 HB VAL A 67 0.440 10.558 -7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.560 12.655 -8.598 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.069 12.926 -7.935 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.364 13.241 -6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.908 10.753 -7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.780 11.206 -6.149 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.274 9.585 -6.682 1.00 0.00 H new ATOM 966 N ASP A 68 -0.320 13.220 -4.945 1.00 0.00 N ATOM 967 CA ASP A 68 -0.093 14.318 -4.005 1.00 0.00 C ATOM 968 C ASP A 68 -0.953 14.140 -2.753 1.00 0.00 C ATOM 969 O ASP A 68 -0.847 14.908 -1.799 1.00 0.00 O ATOM 970 CB ASP A 68 -0.401 15.671 -4.656 1.00 0.00 C ATOM 971 CG ASP A 68 0.622 16.067 -5.705 1.00 0.00 C ATOM 972 OD1 ASP A 68 1.716 15.462 -5.730 1.00 0.00 O ATOM 973 OD2 ASP A 68 0.329 16.983 -6.500 1.00 0.00 O ATOM 0 H ASP A 68 -1.061 13.393 -5.624 1.00 0.00 H new ATOM 0 HA ASP A 68 0.959 14.300 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.389 15.631 -5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.439 16.440 -3.884 1.00 0.00 H new ATOM 978 N GLN A 69 -1.800 13.113 -2.774 1.00 0.00 N ATOM 979 CA GLN A 69 -2.710 12.818 -1.671 1.00 0.00 C ATOM 980 C GLN A 69 -2.273 11.583 -0.880 1.00 0.00 C ATOM 981 O GLN A 69 -3.088 10.955 -0.204 1.00 0.00 O ATOM 982 CB GLN A 69 -4.135 12.615 -2.197 1.00 0.00 C ATOM 983 CG GLN A 69 -4.736 13.852 -2.848 1.00 0.00 C ATOM 984 CD GLN A 69 -4.891 15.008 -1.878 1.00 0.00 C ATOM 985 OE1 GLN A 69 -4.269 16.056 -2.037 1.00 0.00 O ATOM 986 NE2 GLN A 69 -5.725 14.822 -0.863 1.00 0.00 N ATOM 0 H GLN A 69 -1.874 12.463 -3.556 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.686 13.674 -0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.131 11.801 -2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.775 12.304 -1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.104 14.163 -3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.711 13.600 -3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.222 13.937 -0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.869 15.564 -0.179 1.00 0.00 H new ATOM 995 N GLY A 70 -0.991 11.237 -0.956 1.00 0.00 N ATOM 996 CA GLY A 70 -0.501 10.078 -0.229 1.00 0.00 C ATOM 997 C GLY A 70 -0.238 8.853 -1.093 1.00 0.00 C ATOM 998 O GLY A 70 -0.099 7.758 -0.546 1.00 0.00 O ATOM 0 H GLY A 70 -0.288 11.733 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.422 10.350 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.227 9.815 0.541 1.00 0.00 H new ATOM 1002 N LYS A 71 -0.213 9.049 -2.428 1.00 0.00 N ATOM 1003 CA LYS A 71 0.083 7.999 -3.434 1.00 0.00 C ATOM 1004 C LYS A 71 -1.187 7.484 -4.112 1.00 0.00 C ATOM 1005 O LYS A 71 -2.252 7.403 -3.508 1.00 0.00 O ATOM 1006 CB LYS A 71 0.882 6.818 -2.849 1.00 0.00 C ATOM 1007 CG LYS A 71 0.988 5.594 -3.759 1.00 0.00 C ATOM 1008 CD LYS A 71 1.784 5.882 -5.030 1.00 0.00 C ATOM 1009 CE LYS A 71 3.212 6.261 -4.720 1.00 0.00 C ATOM 1010 NZ LYS A 71 3.516 7.662 -5.123 1.00 0.00 N ATOM 0 H LYS A 71 -0.401 9.959 -2.849 1.00 0.00 H new ATOM 0 HA LYS A 71 0.708 8.482 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.888 7.163 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.418 6.515 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.463 4.779 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.013 5.257 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.772 5.003 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.305 6.689 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.395 6.143 -3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.888 5.580 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.542 7.824 -5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.192 7.821 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.027 8.321 -4.484 1.00 0.00 H new ATOM 1024 N SER A 72 -1.055 7.167 -5.393 1.00 0.00 N ATOM 1025 CA SER A 72 -2.149 6.632 -6.189 1.00 0.00 C ATOM 1026 C SER A 72 -1.694 5.390 -6.939 1.00 0.00 C ATOM 1027 O SER A 72 -2.484 4.494 -7.194 1.00 0.00 O ATOM 1028 CB SER A 72 -2.623 7.670 -7.181 1.00 0.00 C ATOM 1029 OG SER A 72 -3.962 7.423 -7.572 1.00 0.00 O ATOM 0 H SER A 72 -0.182 7.274 -5.910 1.00 0.00 H new ATOM 0 HA SER A 72 -2.968 6.368 -5.520 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.547 8.663 -6.738 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.977 7.662 -8.059 1.00 0.00 H new ATOM 0 HG SER A 72 -4.335 8.228 -7.987 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.421 5.345 -7.309 1.00 0.00 N ATOM 1036 CA GLY A 73 0.083 4.187 -8.016 1.00 0.00 C ATOM 1037 C GLY A 73 -0.198 2.907 -7.258 1.00 0.00 C ATOM 1038 O GLY A 73 -0.951 2.056 -7.723 1.00 0.00 O ATOM 0 H GLY A 73 0.264 6.081 -7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.376 4.134 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.157 4.292 -8.169 1.00 0.00 H new ATOM 1042 N THR A 74 0.377 2.781 -6.079 1.00 0.00 N ATOM 1043 CA THR A 74 0.166 1.608 -5.262 1.00 0.00 C ATOM 1044 C THR A 74 -1.046 1.750 -4.338 1.00 0.00 C ATOM 1045 O THR A 74 -1.805 0.798 -4.152 1.00 0.00 O ATOM 1046 CB THR A 74 1.423 1.293 -4.434 1.00 0.00 C ATOM 1047 OG1 THR A 74 2.144 2.505 -4.168 1.00 0.00 O ATOM 1048 CG2 THR A 74 2.317 0.308 -5.169 1.00 0.00 C ATOM 0 H THR A 74 0.995 3.480 -5.666 1.00 0.00 H new ATOM 0 HA THR A 74 -0.037 0.782 -5.943 1.00 0.00 H new ATOM 0 HB THR A 74 1.115 0.841 -3.491 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.596 2.433 -3.302 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.201 0.099 -4.566 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.770 -0.618 -5.345 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.622 0.736 -6.124 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.224 2.944 -3.765 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.321 3.200 -2.828 1.00 0.00 C ATOM 1058 C ARG A 75 -3.697 3.033 -3.471 1.00 0.00 C ATOM 1059 O ARG A 75 -4.561 2.347 -2.927 1.00 0.00 O ATOM 1060 CB ARG A 75 -2.213 4.614 -2.250 1.00 0.00 C ATOM 1061 CG ARG A 75 -3.189 4.874 -1.111 1.00 0.00 C ATOM 1062 CD ARG A 75 -3.046 6.279 -0.552 1.00 0.00 C ATOM 1063 NE ARG A 75 -3.994 6.536 0.532 1.00 0.00 N ATOM 1064 CZ ARG A 75 -3.782 6.196 1.803 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -4.707 6.450 2.720 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -2.643 5.614 2.157 1.00 0.00 N ATOM 0 H ARG A 75 -0.621 3.749 -3.934 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.227 2.458 -2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.196 4.776 -1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.391 5.339 -3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.209 4.727 -1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.020 4.148 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.029 6.422 -0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.202 7.005 -1.350 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.870 7.004 0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.580 6.905 2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.545 6.190 3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.927 5.426 1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.484 5.355 3.131 1.00 0.00 H new ATOM 1080 N GLU A 76 -3.889 3.647 -4.637 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.171 3.576 -5.336 1.00 0.00 C ATOM 1082 C GLU A 76 -5.487 2.140 -5.742 1.00 0.00 C ATOM 1083 O GLU A 76 -6.631 1.701 -5.659 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.174 4.490 -6.570 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.500 4.529 -7.304 1.00 0.00 C ATOM 1086 CD GLU A 76 -7.618 5.146 -6.486 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -7.315 5.891 -5.525 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -8.797 4.887 -6.803 1.00 0.00 O ATOM 0 H GLU A 76 -3.176 4.197 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.945 3.921 -4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.911 5.502 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.398 4.156 -7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.380 5.095 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.782 3.514 -7.586 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.459 1.421 -6.186 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.609 0.032 -6.611 1.00 0.00 C ATOM 1097 C LEU A 77 -5.105 -0.851 -5.461 1.00 0.00 C ATOM 1098 O LEU A 77 -6.014 -1.660 -5.641 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.267 -0.496 -7.133 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.269 -1.949 -7.618 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.204 -2.120 -8.807 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -1.857 -2.386 -7.976 1.00 0.00 C ATOM 0 H LEU A 77 -3.507 1.780 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.352 -0.003 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.941 0.142 -7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.525 -0.398 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.633 -2.583 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.190 -3.159 -9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.218 -1.846 -8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.875 -1.477 -9.624 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.872 -3.420 -8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.468 -1.746 -8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.217 -2.305 -7.097 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.500 -0.692 -4.285 1.00 0.00 N ATOM 1115 CA LEU A 78 -4.885 -1.480 -3.114 1.00 0.00 C ATOM 1116 C LEU A 78 -6.279 -1.073 -2.611 1.00 0.00 C ATOM 1117 O LEU A 78 -7.088 -1.920 -2.235 1.00 0.00 O ATOM 1118 CB LEU A 78 -3.843 -1.316 -1.994 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.417 -1.754 -2.354 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.481 -1.562 -1.172 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.395 -3.199 -2.828 1.00 0.00 C ATOM 0 H LEU A 78 -3.744 -0.028 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.923 -2.529 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.819 -0.268 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.173 -1.888 -1.127 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.068 -1.125 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.475 -1.879 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.465 -0.510 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.831 -2.160 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.373 -3.485 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.771 -3.847 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.026 -3.302 -3.711 1.00 0.00 H new ATOM 1133 N TRP A 79 -6.557 0.229 -2.643 1.00 0.00 N ATOM 1134 CA TRP A 79 -7.839 0.782 -2.183 1.00 0.00 C ATOM 1135 C TRP A 79 -8.980 0.578 -3.183 1.00 0.00 C ATOM 1136 O TRP A 79 -10.125 0.917 -2.886 1.00 0.00 O ATOM 1137 CB TRP A 79 -7.698 2.270 -1.857 1.00 0.00 C ATOM 1138 CG TRP A 79 -7.120 2.536 -0.500 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -5.823 2.831 -0.204 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -7.828 2.543 0.747 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -5.677 3.016 1.151 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -6.893 2.846 1.755 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -9.160 2.324 1.108 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -7.249 2.932 3.099 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -9.512 2.411 2.442 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -8.560 2.712 3.422 1.00 0.00 C ATOM 0 H TRP A 79 -5.904 0.933 -2.987 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.101 0.228 -1.282 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -7.066 2.740 -2.610 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.678 2.742 -1.924 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -5.026 2.908 -0.928 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -4.804 3.243 1.628 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -9.901 2.091 0.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -6.517 3.164 3.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -10.539 2.244 2.732 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -8.867 2.772 4.456 1.00 0.00 H new ATOM 1157 N SER A 80 -8.672 0.051 -4.367 1.00 0.00 N ATOM 1158 CA SER A 80 -9.688 -0.155 -5.405 1.00 0.00 C ATOM 1159 C SER A 80 -10.829 -1.063 -4.934 1.00 0.00 C ATOM 1160 O SER A 80 -11.990 -0.815 -5.258 1.00 0.00 O ATOM 1161 CB SER A 80 -9.050 -0.743 -6.665 1.00 0.00 C ATOM 1162 OG SER A 80 -8.166 0.184 -7.274 1.00 0.00 O ATOM 0 H SER A 80 -7.732 -0.241 -4.633 1.00 0.00 H new ATOM 0 HA SER A 80 -10.115 0.823 -5.629 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.507 -1.653 -6.410 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.830 -1.025 -7.373 1.00 0.00 H new ATOM 0 HG SER A 80 -7.593 0.588 -6.589 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.507 -2.121 -4.191 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.541 -3.028 -3.695 1.00 0.00 C ATOM 1170 C TRP A 81 -12.114 -2.523 -2.369 1.00 0.00 C ATOM 1171 O TRP A 81 -13.096 -1.782 -2.349 1.00 0.00 O ATOM 1172 CB TRP A 81 -10.976 -4.441 -3.529 1.00 0.00 C ATOM 1173 CG TRP A 81 -10.913 -5.216 -4.809 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -9.803 -5.453 -5.570 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -12.004 -5.859 -5.477 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -10.139 -6.202 -6.671 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -11.484 -6.464 -6.639 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -13.370 -5.983 -5.210 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -12.283 -7.180 -7.527 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -14.162 -6.694 -6.091 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -13.615 -7.285 -7.237 1.00 0.00 C ATOM 0 H TRP A 81 -9.555 -2.369 -3.923 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.349 -3.059 -4.426 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -9.974 -4.375 -3.104 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.590 -4.987 -2.813 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.808 -5.103 -5.339 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -9.492 -6.513 -7.396 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.800 -5.530 -4.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -11.866 -7.636 -8.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -15.219 -6.796 -5.893 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -14.259 -7.836 -7.906 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.505 -2.940 -1.261 1.00 0.00 N ATOM 1193 CA ALA A 82 -11.938 -2.503 0.062 1.00 0.00 C ATOM 1194 C ALA A 82 -10.917 -1.527 0.637 1.00 0.00 C ATOM 1195 O ALA A 82 -11.052 -0.313 0.494 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.130 -3.699 0.989 1.00 0.00 C ATOM 0 H ALA A 82 -10.711 -3.580 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.899 -1.996 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.453 -3.351 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.887 -4.364 0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.188 -4.238 1.087 1.00 0.00 H new ATOM 1202 N GLN A 83 -9.899 -2.073 1.293 1.00 0.00 N ATOM 1203 CA GLN A 83 -8.819 -1.267 1.846 1.00 0.00 C ATOM 1204 C GLN A 83 -7.533 -1.609 1.107 1.00 0.00 C ATOM 1205 O GLN A 83 -6.856 -0.731 0.581 1.00 0.00 O ATOM 1206 CB GLN A 83 -8.677 -1.494 3.354 1.00 0.00 C ATOM 1207 CG GLN A 83 -9.915 -1.083 4.137 1.00 0.00 C ATOM 1208 CD GLN A 83 -9.719 -1.174 5.636 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -8.792 -0.585 6.186 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -10.593 -1.914 6.306 1.00 0.00 N ATOM 0 H GLN A 83 -9.800 -3.075 1.455 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.043 -0.209 1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.470 -2.548 3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.819 -0.932 3.721 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.184 -0.061 3.872 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.751 -1.718 3.845 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.348 -2.386 5.809 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.510 -2.011 7.318 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.193 -2.896 1.093 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.034 -3.365 0.346 1.00 0.00 C ATOM 1221 C LYS A 84 -6.442 -4.585 -0.480 1.00 0.00 C ATOM 1222 O LYS A 84 -6.115 -4.684 -1.663 1.00 0.00 O ATOM 1223 CB LYS A 84 -4.861 -3.704 1.282 1.00 0.00 C ATOM 1224 CG LYS A 84 -3.697 -4.413 0.599 1.00 0.00 C ATOM 1225 CD LYS A 84 -2.885 -5.262 1.573 1.00 0.00 C ATOM 1226 CE LYS A 84 -2.046 -4.417 2.518 1.00 0.00 C ATOM 1227 NZ LYS A 84 -2.857 -3.791 3.590 1.00 0.00 N ATOM 0 H LYS A 84 -7.702 -3.628 1.589 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.691 -2.570 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.495 -2.782 1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.229 -4.333 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.079 -5.047 -0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.045 -3.673 0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.561 -5.890 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.233 -5.931 1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.273 -5.040 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.537 -3.638 1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.326 -3.813 4.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.067 -2.805 3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.748 -4.316 3.703 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.187 -5.493 0.171 1.00 0.00 N ATOM 1242 CA ASN A 85 -7.712 -6.721 -0.450 1.00 0.00 C ATOM 1243 C ASN A 85 -6.644 -7.447 -1.273 1.00 0.00 C ATOM 1244 O ASN A 85 -6.932 -8.017 -2.326 1.00 0.00 O ATOM 1245 CB ASN A 85 -8.930 -6.412 -1.323 1.00 0.00 C ATOM 1246 CG ASN A 85 -9.809 -7.633 -1.529 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -10.009 -8.426 -0.610 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -10.339 -7.793 -2.733 1.00 0.00 N ATOM 0 H ASN A 85 -7.445 -5.395 1.153 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.016 -7.384 0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.516 -5.618 -0.860 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.596 -6.038 -2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.937 -8.597 -2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.149 -7.112 -3.469 1.00 0.00 H new ATOM 1255 N LYS A 86 -5.416 -7.424 -0.784 1.00 0.00 N ATOM 1256 CA LYS A 86 -4.304 -8.062 -1.468 1.00 0.00 C ATOM 1257 C LYS A 86 -3.420 -8.767 -0.459 1.00 0.00 C ATOM 1258 O LYS A 86 -3.483 -8.476 0.736 1.00 0.00 O ATOM 1259 CB LYS A 86 -3.481 -7.022 -2.241 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.668 -7.072 -3.749 1.00 0.00 C ATOM 1261 CD LYS A 86 -4.783 -6.146 -4.210 1.00 0.00 C ATOM 1262 CE LYS A 86 -5.343 -6.572 -5.556 1.00 0.00 C ATOM 1263 NZ LYS A 86 -4.274 -6.745 -6.579 1.00 0.00 N ATOM 0 H LYS A 86 -5.163 -6.966 0.092 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.700 -8.790 -2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.749 -6.027 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.425 -7.168 -2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.736 -6.792 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.895 -8.094 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.582 -6.140 -3.468 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.405 -5.126 -4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.889 -7.508 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.059 -5.826 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.707 -6.852 -7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.653 -5.911 -6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.715 -7.593 -6.357 1.00 0.00 H new ATOM 1277 N THR A 87 -2.594 -9.685 -0.927 1.00 0.00 N ATOM 1278 CA THR A 87 -1.702 -10.398 -0.035 1.00 0.00 C ATOM 1279 C THR A 87 -0.253 -10.070 -0.363 1.00 0.00 C ATOM 1280 O THR A 87 0.074 -9.694 -1.494 1.00 0.00 O ATOM 1281 CB THR A 87 -1.914 -11.924 -0.096 1.00 0.00 C ATOM 1282 OG1 THR A 87 -1.592 -12.419 -1.402 1.00 0.00 O ATOM 1283 CG2 THR A 87 -3.354 -12.287 0.244 1.00 0.00 C ATOM 0 H THR A 87 -2.523 -9.951 -1.909 1.00 0.00 H new ATOM 0 HA THR A 87 -1.934 -10.070 0.978 1.00 0.00 H new ATOM 0 HB THR A 87 -1.253 -12.384 0.639 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.729 -13.389 -1.427 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.478 -13.369 0.194 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.588 -11.941 1.251 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.027 -11.811 -0.469 1.00 0.00 H new ATOM 1291 N ILE A 88 0.608 -10.218 0.634 1.00 0.00 N ATOM 1292 CA ILE A 88 2.027 -9.927 0.489 1.00 0.00 C ATOM 1293 C ILE A 88 2.664 -10.810 -0.587 1.00 0.00 C ATOM 1294 O ILE A 88 3.494 -10.339 -1.366 1.00 0.00 O ATOM 1295 CB ILE A 88 2.745 -10.072 1.858 1.00 0.00 C ATOM 1296 CG1 ILE A 88 2.772 -8.715 2.575 1.00 0.00 C ATOM 1297 CG2 ILE A 88 4.155 -10.627 1.710 1.00 0.00 C ATOM 1298 CD1 ILE A 88 1.424 -8.272 3.099 1.00 0.00 C ATOM 0 H ILE A 88 0.343 -10.542 1.564 1.00 0.00 H new ATOM 0 HA ILE A 88 2.141 -8.895 0.159 1.00 0.00 H new ATOM 0 HB ILE A 88 2.182 -10.789 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.475 -8.768 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.150 -7.959 1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.618 -10.711 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.111 -11.611 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.746 -9.956 1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.525 -7.305 3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.722 -8.185 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.052 -9.007 3.813 1.00 0.00 H new ATOM 1310 N GLY A 89 2.247 -12.073 -0.648 1.00 0.00 N ATOM 1311 CA GLY A 89 2.781 -12.990 -1.645 1.00 0.00 C ATOM 1312 C GLY A 89 2.495 -12.537 -3.067 1.00 0.00 C ATOM 1313 O GLY A 89 3.346 -12.670 -3.950 1.00 0.00 O ATOM 0 H GLY A 89 1.549 -12.479 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.858 -13.084 -1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.352 -13.980 -1.490 1.00 0.00 H new ATOM 1317 N ASP A 90 1.290 -12.012 -3.291 1.00 0.00 N ATOM 1318 CA ASP A 90 0.887 -11.532 -4.615 1.00 0.00 C ATOM 1319 C ASP A 90 1.752 -10.360 -5.077 1.00 0.00 C ATOM 1320 O ASP A 90 2.201 -10.325 -6.223 1.00 0.00 O ATOM 1321 CB ASP A 90 -0.586 -11.113 -4.607 1.00 0.00 C ATOM 1322 CG ASP A 90 -1.064 -10.663 -5.973 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -1.125 -11.509 -6.889 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -1.377 -9.462 -6.125 1.00 0.00 O ATOM 0 H ASP A 90 0.574 -11.908 -2.572 1.00 0.00 H new ATOM 0 HA ASP A 90 1.026 -12.355 -5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.197 -11.949 -4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.727 -10.304 -3.890 1.00 0.00 H new ATOM 1329 N LEU A 91 1.982 -9.403 -4.178 1.00 0.00 N ATOM 1330 CA LEU A 91 2.786 -8.224 -4.506 1.00 0.00 C ATOM 1331 C LEU A 91 4.272 -8.564 -4.624 1.00 0.00 C ATOM 1332 O LEU A 91 5.003 -7.886 -5.338 1.00 0.00 O ATOM 1333 CB LEU A 91 2.589 -7.115 -3.468 1.00 0.00 C ATOM 1334 CG LEU A 91 1.831 -5.868 -3.954 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.385 -5.382 -5.287 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.342 -6.160 -4.070 1.00 0.00 C ATOM 0 H LEU A 91 1.626 -9.420 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 91 2.440 -7.867 -5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.054 -7.533 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.569 -6.803 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 91 1.972 -5.076 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.833 -4.499 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.439 -5.129 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.280 -6.169 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.178 -5.266 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.184 -6.970 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.048 -6.453 -3.095 1.00 0.00 H new ATOM 1348 N LEU A 92 4.708 -9.621 -3.939 1.00 0.00 N ATOM 1349 CA LEU A 92 6.113 -10.037 -3.984 1.00 0.00 C ATOM 1350 C LEU A 92 6.557 -10.374 -5.402 1.00 0.00 C ATOM 1351 O LEU A 92 7.686 -10.073 -5.790 1.00 0.00 O ATOM 1352 CB LEU A 92 6.369 -11.227 -3.058 1.00 0.00 C ATOM 1353 CG LEU A 92 6.433 -10.893 -1.567 1.00 0.00 C ATOM 1354 CD1 LEU A 92 6.447 -12.168 -0.738 1.00 0.00 C ATOM 1355 CD2 LEU A 92 7.664 -10.050 -1.271 1.00 0.00 C ATOM 0 H LEU A 92 4.114 -10.203 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 92 6.704 -9.190 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.582 -11.964 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.308 -11.697 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 92 5.546 -10.319 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.493 -11.913 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.540 -12.740 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.318 -12.766 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.699 -9.818 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.560 -10.604 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.616 -9.123 -1.843 1.00 0.00 H new ATOM 1367 N GLN A 93 5.674 -11.002 -6.172 1.00 0.00 N ATOM 1368 CA GLN A 93 5.988 -11.360 -7.553 1.00 0.00 C ATOM 1369 C GLN A 93 6.266 -10.098 -8.370 1.00 0.00 C ATOM 1370 O GLN A 93 7.196 -10.056 -9.178 1.00 0.00 O ATOM 1371 CB GLN A 93 4.820 -12.137 -8.162 1.00 0.00 C ATOM 1372 CG GLN A 93 4.630 -13.519 -7.559 1.00 0.00 C ATOM 1373 CD GLN A 93 3.365 -14.197 -8.043 1.00 0.00 C ATOM 1374 OE1 GLN A 93 3.328 -14.765 -9.130 1.00 0.00 O ATOM 1375 NE2 GLN A 93 2.314 -14.130 -7.234 1.00 0.00 N ATOM 0 H GLN A 93 4.739 -11.273 -5.866 1.00 0.00 H new ATOM 0 HA GLN A 93 6.878 -11.989 -7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.903 -11.562 -8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.981 -12.237 -9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.489 -14.141 -7.808 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.601 -13.436 -6.473 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.390 -13.647 -6.339 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.431 -14.561 -7.508 1.00 0.00 H new ATOM 1384 N VAL A 94 5.446 -9.075 -8.147 1.00 0.00 N ATOM 1385 CA VAL A 94 5.592 -7.790 -8.825 1.00 0.00 C ATOM 1386 C VAL A 94 6.836 -7.053 -8.310 1.00 0.00 C ATOM 1387 O VAL A 94 7.585 -6.451 -9.083 1.00 0.00 O ATOM 1388 CB VAL A 94 4.337 -6.910 -8.620 1.00 0.00 C ATOM 1389 CG1 VAL A 94 4.529 -5.528 -9.229 1.00 0.00 C ATOM 1390 CG2 VAL A 94 3.106 -7.590 -9.204 1.00 0.00 C ATOM 0 H VAL A 94 4.664 -9.113 -7.493 1.00 0.00 H new ATOM 0 HA VAL A 94 5.708 -7.984 -9.891 1.00 0.00 H new ATOM 0 HB VAL A 94 4.186 -6.784 -7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.630 -4.932 -9.069 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.379 -5.037 -8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.715 -5.624 -10.299 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.233 -6.956 -9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.253 -7.753 -10.272 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.950 -8.548 -8.709 1.00 0.00 H new ATOM 1400 N LEU A 95 7.039 -7.119 -6.992 1.00 0.00 N ATOM 1401 CA LEU A 95 8.175 -6.470 -6.329 1.00 0.00 C ATOM 1402 C LEU A 95 9.508 -6.977 -6.873 1.00 0.00 C ATOM 1403 O LEU A 95 10.453 -6.203 -7.027 1.00 0.00 O ATOM 1404 CB LEU A 95 8.120 -6.716 -4.816 1.00 0.00 C ATOM 1405 CG LEU A 95 7.479 -5.605 -3.970 1.00 0.00 C ATOM 1406 CD1 LEU A 95 6.180 -5.117 -4.591 1.00 0.00 C ATOM 1407 CD2 LEU A 95 7.230 -6.105 -2.555 1.00 0.00 C ATOM 0 H LEU A 95 6.422 -7.623 -6.354 1.00 0.00 H new ATOM 0 HA LEU A 95 8.103 -5.402 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.571 -7.641 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.137 -6.876 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 95 8.171 -4.764 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.752 -4.331 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.379 -4.722 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.477 -5.947 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.776 -5.311 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.559 -6.964 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.176 -6.399 -2.101 1.00 0.00 H new ATOM 1419 N GLN A 96 9.579 -8.277 -7.152 1.00 0.00 N ATOM 1420 CA GLN A 96 10.801 -8.883 -7.681 1.00 0.00 C ATOM 1421 C GLN A 96 11.157 -8.290 -9.041 1.00 0.00 C ATOM 1422 O GLN A 96 12.328 -8.051 -9.333 1.00 0.00 O ATOM 1423 CB GLN A 96 10.638 -10.399 -7.801 1.00 0.00 C ATOM 1424 CG GLN A 96 10.598 -11.119 -6.461 1.00 0.00 C ATOM 1425 CD GLN A 96 10.422 -12.622 -6.595 1.00 0.00 C ATOM 1426 OE1 GLN A 96 10.185 -13.092 -7.814 1.00 0.00 O flip ATOM 1427 NE2 GLN A 96 10.499 -13.355 -5.611 1.00 0.00 N flip ATOM 0 H GLN A 96 8.807 -8.931 -7.021 1.00 0.00 H new ATOM 0 HA GLN A 96 11.612 -8.668 -6.985 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.719 -10.614 -8.347 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.461 -10.798 -8.393 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.521 -10.915 -5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.781 -10.716 -5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.683 -12.956 -4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.379 -14.363 -5.715 1.00 0.00 H new ATOM 1436 N GLU A 97 10.140 -8.066 -9.873 1.00 0.00 N ATOM 1437 CA GLU A 97 10.346 -7.491 -11.201 1.00 0.00 C ATOM 1438 C GLU A 97 10.863 -6.056 -11.104 1.00 0.00 C ATOM 1439 O GLU A 97 11.748 -5.653 -11.857 1.00 0.00 O ATOM 1440 CB GLU A 97 9.037 -7.520 -11.997 1.00 0.00 C ATOM 1441 CG GLU A 97 8.587 -8.920 -12.395 1.00 0.00 C ATOM 1442 CD GLU A 97 9.604 -9.643 -13.255 1.00 0.00 C ATOM 1443 OE1 GLU A 97 10.068 -9.051 -14.252 1.00 0.00 O ATOM 1444 OE2 GLU A 97 9.935 -10.803 -12.932 1.00 0.00 O ATOM 0 H GLU A 97 9.166 -8.274 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 97 11.095 -8.092 -11.717 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.252 -7.052 -11.403 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.158 -6.918 -12.898 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.398 -9.505 -11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.643 -8.853 -12.936 1.00 0.00 H new ATOM 1451 N MET A 98 10.289 -5.288 -10.178 1.00 0.00 N ATOM 1452 CA MET A 98 10.691 -3.897 -9.970 1.00 0.00 C ATOM 1453 C MET A 98 12.076 -3.806 -9.329 1.00 0.00 C ATOM 1454 O MET A 98 12.876 -2.935 -9.675 1.00 0.00 O ATOM 1455 CB MET A 98 9.654 -3.162 -9.117 1.00 0.00 C ATOM 1456 CG MET A 98 9.815 -1.648 -9.133 1.00 0.00 C ATOM 1457 SD MET A 98 9.725 -0.960 -10.797 1.00 0.00 S ATOM 1458 CE MET A 98 11.348 -0.217 -10.950 1.00 0.00 C ATOM 0 H MET A 98 9.543 -5.606 -9.559 1.00 0.00 H new ATOM 0 HA MET A 98 10.745 -3.416 -10.946 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.656 -3.417 -9.474 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.725 -3.516 -8.088 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.039 -1.197 -8.515 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.773 -1.383 -8.685 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.342 0.507 -11.765 1.00 0.00 H new ATOM 0 HE2 MET A 98 11.606 0.287 -10.019 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.085 -0.992 -11.159 1.00 0.00 H new ATOM 1468 N GLY A 99 12.357 -4.711 -8.391 1.00 0.00 N ATOM 1469 CA GLY A 99 13.645 -4.709 -7.720 1.00 0.00 C ATOM 1470 C GLY A 99 13.724 -3.707 -6.580 1.00 0.00 C ATOM 1471 O GLY A 99 14.795 -3.177 -6.287 1.00 0.00 O ATOM 0 H GLY A 99 11.716 -5.443 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.847 -5.707 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.426 -4.485 -8.447 1.00 0.00 H new ATOM 1475 N HIS A 100 12.589 -3.439 -5.935 1.00 0.00 N ATOM 1476 CA HIS A 100 12.550 -2.490 -4.825 1.00 0.00 C ATOM 1477 C HIS A 100 13.062 -3.143 -3.538 1.00 0.00 C ATOM 1478 O HIS A 100 12.387 -3.981 -2.939 1.00 0.00 O ATOM 1479 CB HIS A 100 11.125 -1.965 -4.623 1.00 0.00 C ATOM 1480 CG HIS A 100 11.039 -0.793 -3.691 1.00 0.00 C ATOM 1481 ND1 HIS A 100 9.890 -0.424 -3.032 1.00 0.00 N ATOM 1482 CD2 HIS A 100 11.990 0.099 -3.316 1.00 0.00 C ATOM 1483 CE1 HIS A 100 10.171 0.657 -2.293 1.00 0.00 C ATOM 1484 NE2 HIS A 100 11.432 1.014 -2.430 1.00 0.00 N ATOM 0 H HIS A 100 11.689 -3.863 -6.161 1.00 0.00 H new ATOM 0 HA HIS A 100 13.201 -1.651 -5.068 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.712 -1.679 -5.591 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.502 -2.771 -4.236 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.016 0.098 -3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 100 9.457 1.170 -1.666 1.00 0.00 H new ATOM 0 HE2 HIS A 100 11.902 1.799 -1.979 1.00 0.00 H new ATOM 1491 N ARG A 101 14.263 -2.741 -3.131 1.00 0.00 N ATOM 1492 CA ARG A 101 14.913 -3.274 -1.930 1.00 0.00 C ATOM 1493 C ARG A 101 14.171 -2.934 -0.636 1.00 0.00 C ATOM 1494 O ARG A 101 14.044 -3.783 0.247 1.00 0.00 O ATOM 1495 CB ARG A 101 16.333 -2.727 -1.846 1.00 0.00 C ATOM 1496 CG ARG A 101 17.266 -3.279 -2.913 1.00 0.00 C ATOM 1497 CD ARG A 101 18.660 -2.686 -2.793 1.00 0.00 C ATOM 1498 NE ARG A 101 19.567 -3.213 -3.811 1.00 0.00 N ATOM 1499 CZ ARG A 101 20.845 -2.859 -3.915 1.00 0.00 C ATOM 1500 NH1 ARG A 101 21.603 -3.386 -4.868 1.00 0.00 N ATOM 1501 NH2 ARG A 101 21.364 -1.981 -3.067 1.00 0.00 N ATOM 0 H ARG A 101 14.815 -2.038 -3.622 1.00 0.00 H new ATOM 0 HA ARG A 101 14.909 -4.360 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.300 -1.641 -1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.744 -2.957 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.322 -4.364 -2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 101 16.860 -3.061 -3.901 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.602 -1.601 -2.885 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.062 -2.901 -1.803 1.00 0.00 H new ATOM 0 HE ARG A 101 19.199 -3.890 -4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.206 -4.062 -5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.583 -3.115 -4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.783 -1.576 -2.333 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.344 -1.711 -3.149 1.00 0.00 H new ATOM 1515 N ARG A 102 13.681 -1.699 -0.529 1.00 0.00 N ATOM 1516 CA ARG A 102 12.977 -1.255 0.678 1.00 0.00 C ATOM 1517 C ARG A 102 11.724 -2.089 0.925 1.00 0.00 C ATOM 1518 O ARG A 102 11.415 -2.444 2.066 1.00 0.00 O ATOM 1519 CB ARG A 102 12.605 0.226 0.582 1.00 0.00 C ATOM 1520 CG ARG A 102 11.945 0.770 1.843 1.00 0.00 C ATOM 1521 CD ARG A 102 12.926 0.842 3.003 1.00 0.00 C ATOM 1522 NE ARG A 102 14.010 1.789 2.748 1.00 0.00 N ATOM 1523 CZ ARG A 102 15.078 1.918 3.532 1.00 0.00 C ATOM 1524 NH1 ARG A 102 16.016 2.807 3.233 1.00 0.00 N ATOM 1525 NH2 ARG A 102 15.207 1.156 4.611 1.00 0.00 N ATOM 0 H ARG A 102 13.757 -0.990 -1.258 1.00 0.00 H new ATOM 0 HA ARG A 102 13.656 -1.393 1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.504 0.806 0.373 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.930 0.369 -0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.543 1.763 1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 102 11.103 0.134 2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 102 12.395 1.135 3.909 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.345 -0.148 3.185 1.00 0.00 H new ATOM 0 HE ARG A 102 13.944 2.385 1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 102 15.919 3.391 2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 102 16.835 2.906 3.833 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.487 0.471 4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 102 16.026 1.256 5.211 1.00 0.00 H new ATOM 1539 N ALA A 103 11.011 -2.395 -0.152 1.00 0.00 N ATOM 1540 CA ALA A 103 9.792 -3.190 -0.061 1.00 0.00 C ATOM 1541 C ALA A 103 10.096 -4.570 0.512 1.00 0.00 C ATOM 1542 O ALA A 103 9.329 -5.105 1.309 1.00 0.00 O ATOM 1543 CB ALA A 103 9.138 -3.314 -1.427 1.00 0.00 C ATOM 0 H ALA A 103 11.256 -2.105 -1.099 1.00 0.00 H new ATOM 0 HA ALA A 103 9.098 -2.684 0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.229 -3.910 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.887 -2.322 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.827 -3.799 -2.118 1.00 0.00 H new ATOM 1549 N ILE A 104 11.224 -5.137 0.090 1.00 0.00 N ATOM 1550 CA ILE A 104 11.659 -6.450 0.561 1.00 0.00 C ATOM 1551 C ILE A 104 11.933 -6.430 2.070 1.00 0.00 C ATOM 1552 O ILE A 104 11.543 -7.346 2.794 1.00 0.00 O ATOM 1553 CB ILE A 104 12.926 -6.918 -0.197 1.00 0.00 C ATOM 1554 CG1 ILE A 104 12.592 -7.189 -1.665 1.00 0.00 C ATOM 1555 CG2 ILE A 104 13.518 -8.168 0.448 1.00 0.00 C ATOM 1556 CD1 ILE A 104 13.812 -7.388 -2.541 1.00 0.00 C ATOM 0 H ILE A 104 11.857 -4.704 -0.582 1.00 0.00 H new ATOM 0 HA ILE A 104 10.851 -7.154 0.362 1.00 0.00 H new ATOM 0 HB ILE A 104 13.669 -6.123 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.962 -8.077 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.008 -6.356 -2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.406 -8.476 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 104 13.789 -7.951 1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.782 -8.971 0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.496 -7.575 -3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.432 -6.492 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.386 -8.240 -2.177 1.00 0.00 H new ATOM 1568 N HIS A 105 12.610 -5.384 2.538 1.00 0.00 N ATOM 1569 CA HIS A 105 12.937 -5.258 3.960 1.00 0.00 C ATOM 1570 C HIS A 105 11.685 -5.116 4.829 1.00 0.00 C ATOM 1571 O HIS A 105 11.601 -5.720 5.899 1.00 0.00 O ATOM 1572 CB HIS A 105 13.864 -4.061 4.195 1.00 0.00 C ATOM 1573 CG HIS A 105 15.276 -4.290 3.744 1.00 0.00 C ATOM 1574 ND1 HIS A 105 16.160 -5.126 4.392 1.00 0.00 N ATOM 1575 CD2 HIS A 105 15.956 -3.770 2.692 1.00 0.00 C ATOM 1576 CE1 HIS A 105 17.323 -5.087 3.729 1.00 0.00 C ATOM 1577 NE2 HIS A 105 17.252 -4.278 2.689 1.00 0.00 N ATOM 0 H HIS A 105 12.942 -4.614 1.958 1.00 0.00 H new ATOM 0 HA HIS A 105 13.446 -6.177 4.251 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.462 -3.194 3.672 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.867 -3.819 5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.556 -3.073 1.971 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.204 -5.645 4.009 1.00 0.00 H new ATOM 0 HE2 HIS A 105 17.994 -4.068 2.021 1.00 0.00 H new ATOM 1584 N LEU A 106 10.713 -4.330 4.372 1.00 0.00 N ATOM 1585 CA LEU A 106 9.481 -4.120 5.140 1.00 0.00 C ATOM 1586 C LEU A 106 8.483 -5.262 4.971 1.00 0.00 C ATOM 1587 O LEU A 106 7.609 -5.451 5.820 1.00 0.00 O ATOM 1588 CB LEU A 106 8.827 -2.788 4.765 1.00 0.00 C ATOM 1589 CG LEU A 106 9.080 -1.642 5.747 1.00 0.00 C ATOM 1590 CD1 LEU A 106 8.971 -2.126 7.188 1.00 0.00 C ATOM 1591 CD2 LEU A 106 10.440 -1.010 5.494 1.00 0.00 C ATOM 0 H LEU A 106 10.750 -3.831 3.483 1.00 0.00 H new ATOM 0 HA LEU A 106 9.769 -4.095 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.187 -2.489 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.751 -2.941 4.678 1.00 0.00 H new ATOM 0 HG LEU A 106 8.314 -0.883 5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.155 -1.293 7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.971 -2.523 7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.709 -2.908 7.366 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.601 -0.197 6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.220 -1.761 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.476 -0.618 4.478 1.00 0.00 H new ATOM 1603 N ILE A 107 8.606 -6.017 3.884 1.00 0.00 N ATOM 1604 CA ILE A 107 7.701 -7.136 3.614 1.00 0.00 C ATOM 1605 C ILE A 107 7.802 -8.207 4.709 1.00 0.00 C ATOM 1606 O ILE A 107 6.892 -9.018 4.887 1.00 0.00 O ATOM 1607 CB ILE A 107 7.958 -7.763 2.218 1.00 0.00 C ATOM 1608 CG1 ILE A 107 6.653 -8.290 1.627 1.00 0.00 C ATOM 1609 CG2 ILE A 107 8.994 -8.880 2.280 1.00 0.00 C ATOM 1610 CD1 ILE A 107 5.826 -7.223 0.944 1.00 0.00 C ATOM 0 H ILE A 107 9.324 -5.876 3.173 1.00 0.00 H new ATOM 0 HA ILE A 107 6.688 -6.733 3.616 1.00 0.00 H new ATOM 0 HB ILE A 107 8.355 -6.978 1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 107 6.881 -9.078 0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.061 -8.745 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.145 -9.292 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.937 -8.481 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.642 -9.666 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.913 -7.668 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.568 -6.446 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.400 -6.785 0.128 1.00 0.00 H new ATOM 1622 N THR A 108 8.914 -8.191 5.444 1.00 0.00 N ATOM 1623 CA THR A 108 9.146 -9.147 6.521 1.00 0.00 C ATOM 1624 C THR A 108 8.256 -8.859 7.733 1.00 0.00 C ATOM 1625 O THR A 108 8.160 -9.678 8.646 1.00 0.00 O ATOM 1626 CB THR A 108 10.622 -9.138 6.971 1.00 0.00 C ATOM 1627 OG1 THR A 108 10.975 -7.848 7.486 1.00 0.00 O ATOM 1628 CG2 THR A 108 11.546 -9.500 5.817 1.00 0.00 C ATOM 0 H THR A 108 9.671 -7.521 5.310 1.00 0.00 H new ATOM 0 HA THR A 108 8.896 -10.130 6.122 1.00 0.00 H new ATOM 0 HB THR A 108 10.739 -9.885 7.756 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.192 -7.247 6.743 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.580 -9.486 6.161 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.298 -10.497 5.451 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.422 -8.777 5.011 1.00 0.00 H new ATOM 1636 N ASN A 109 7.601 -7.695 7.736 1.00 0.00 N ATOM 1637 CA ASN A 109 6.721 -7.311 8.841 1.00 0.00 C ATOM 1638 C ASN A 109 5.321 -7.918 8.681 1.00 0.00 C ATOM 1639 O ASN A 109 4.365 -7.480 9.322 1.00 0.00 O ATOM 1640 CB ASN A 109 6.626 -5.784 8.933 1.00 0.00 C ATOM 1641 CG ASN A 109 6.608 -5.283 10.369 1.00 0.00 C ATOM 1642 OD1 ASN A 109 6.120 -5.960 11.274 1.00 0.00 O ATOM 1643 ND2 ASN A 109 7.145 -4.089 10.584 1.00 0.00 N ATOM 0 H ASN A 109 7.664 -7.005 6.988 1.00 0.00 H new ATOM 0 HA ASN A 109 7.152 -7.701 9.763 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.471 -5.339 8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.722 -5.449 8.424 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.164 -3.701 11.527 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.539 -3.560 9.806 1.00 0.00 H new ATOM 1650 N TYR A 110 5.204 -8.919 7.811 1.00 0.00 N ATOM 1651 CA TYR A 110 3.930 -9.591 7.573 1.00 0.00 C ATOM 1652 C TYR A 110 3.809 -10.848 8.436 1.00 0.00 C ATOM 1653 O TYR A 110 4.667 -11.729 8.396 1.00 0.00 O ATOM 1654 CB TYR A 110 3.790 -9.950 6.087 1.00 0.00 C ATOM 1655 CG TYR A 110 2.628 -10.874 5.770 1.00 0.00 C ATOM 1656 CD1 TYR A 110 1.316 -10.409 5.753 1.00 0.00 C ATOM 1657 CD2 TYR A 110 2.849 -12.215 5.482 1.00 0.00 C ATOM 1658 CE1 TYR A 110 0.266 -11.255 5.457 1.00 0.00 C ATOM 1659 CE2 TYR A 110 1.802 -13.066 5.186 1.00 0.00 C ATOM 1660 CZ TYR A 110 0.513 -12.580 5.175 1.00 0.00 C ATOM 1661 OH TYR A 110 -0.534 -13.426 4.886 1.00 0.00 O ATOM 0 H TYR A 110 5.980 -9.283 7.258 1.00 0.00 H new ATOM 0 HA TYR A 110 3.126 -8.909 7.849 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.674 -9.030 5.513 1.00 0.00 H new ATOM 0 HB3 TYR A 110 4.714 -10.420 5.751 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.117 -9.371 5.975 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.858 -12.599 5.490 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.746 -10.879 5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.993 -14.106 4.965 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.188 -14.326 4.709 1.00 0.00 H new